SCHEMBL10005347

SCHEMBL10005347

Cc1ccc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCN10A Q9Y5Y9 2/20 0.42
KCNH2 Q12809 1/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A2 P05177 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NQO2 P16083 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14601538 0.91 KMT2A (0.43) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL1129051 0.86 KMT2A (0.40) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL3269719 0.85 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL171627 0.84 KDM4E (0.60) ALDH1A1SMN1; SMN2L3MBTL1KMT2ACYP1A2
SCHEMBL4349193 0.84 KMT2A (0.41) ALDH1A1KMT2ACYP1A2MAPTMEN1
SCHEMBL23619188 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL846855 0.81 SCN10A (0.58) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL18922591 0.80 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL7028984 0.80 KDM4E (0.50) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL14491782 0.80 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
EP-4219465-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme Inc (US) 2023-08-02 EP disclosed
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 US disclosed
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES BRISTOL MYERS SQUIBB CO (US) 2020-07-23 US disclosed
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2018-06-14 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20100298360-A1 SMALL MOLECULE INHIBITORS OF PDZ INTERACTIONS BELMARES MICHAEL P 2010-11-25 US disclosed
US-20100298360-A1 SMALL MOLECULE INHIBITORS OF PDZ INTERACTIONS BELMARES MICHAEL P 2010-11-25 US disclosed
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100160240-A1 TREATMENT FOR EPILEPSY ARBOR VITA CORPORATION (US) 2010-06-24 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 US disclosed
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions ARBOR VITA CORPORATION (US) 2009-03-05 US disclosed
US-20090036376-A1 Treatment for Anxiety NONO INC. (CA) 2009-02-05 US disclosed
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions NONO INC. (CA) 2008-09-18 US disclosed
US-7217720-B2 17-heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-05-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062213-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD ALDH1A1 4365/4885SMN1; SMN2 3220/4885L3MBTL1 1478/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 ALDH1A1 2404/4885SMN1; SMN2 1240/4885L3MBTL1 151/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885SMN1; SMN2 1715/4885L3MBTL1 1306/4885
US-20200231547-A1 2-(1,1'-BIPHENYL)-1H-BENZODIMIDAZOLE DERIVATIVES AND RELATED COMPOUNDS AS APELIN AND APJ AGONISTS FOR TREATING CARDIOVASCULAR DISEASES APLNR, AP3B1, AP2B1 ALDH1A1 546/4885SMN1; SMN2 4226/4885L3MBTL1 3605/4885
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 ALDH1A1 4610/4885SMN1; SMN2 593/4885L3MBTL1 2281/4885
US-20100179123-A1 THIENOPYRIMIDINES USEFUL AS AURORA KINASE INHIBITORS AURKA, AURKB, AURKC ALDH1A1 3035/4885SMN1; SMN2 3504/4885L3MBTL1 801/4885
US-20080227684-A1 Small Molecule Inhibitors of PDZ Interactions PDLIM5, DAB2IP, PSD ALDH1A1 4365/4885SMN1; SMN2 3220/4885L3MBTL1 1478/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885SMN1; SMN2 434/4885L3MBTL1 699/4885
US-20100298360-A1 SMALL MOLECULE INHIBITORS OF PDZ INTERACTIONS PDLIM5, DAB2IP, PSD ALDH1A1 4365/4885SMN1; SMN2 3220/4885L3MBTL1 1478/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 ALDH1A1 3793/4885SMN1; SMN2 1177/4885L3MBTL1 3568/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 1890/4885SMN1; SMN2 1715/4885L3MBTL1 1306/4885
US-20090036376-A1 Treatment for Anxiety GRIN2A, GRIN3A, GRIN1 ALDH1A1 996/4885SMN1; SMN2 3472/4885L3MBTL1 2851/4885
US-20180162847-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF PRMT5, PRMT1, PRMT3 ALDH1A1 2705/4885SMN1; SMN2 1466/4885L3MBTL1 1042/4885
US-20100160240-A1 TREATMENT FOR EPILEPSY GRIK5, GRIN3A, GRIN2A ALDH1A1 3020/4885SMN1; SMN2 1853/4885L3MBTL1 3189/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.