Sugi Predict

Sugi Predict / Compounds / SCHEMBL3085307

SCHEMBL3085307

SCHEMBL3085307

Nc1ccc(CCO)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ CA2 P00918 3/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA5A P35218 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ CA5B Q9Y2D0 2/20 0.42
▸ SKP2 Q13309 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 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
SCHEMBL3934999 0.83 CA2 (0.42) KDM4EGAAMAPTALDH1A1CA2
SCHEMBL11296943 0.81 SKP2 (0.41) KDM4EGAAMAPTALDH1A1CA2
SCHEMBL14326992 0.81 TAAR1 (0.52) KDM4EGAAMAPTALDH1A1BACE1
SCHEMBL4720461 0.80 ALDH1A1 (0.52) KDM4EGAAMAPTALDH1A1ALOX5
SCHEMBL10756643 0.80 KDM4E (0.52) KDM4EGAAMAPTALDH1A1ALOX5
SCHEMBL28062193 0.79 SKP2 (0.40) KDM4EGAAMAPTALDH1A1CA2
SCHEMBL7442769 0.79 SKP2 (0.53) MAPTALDH1A1ALOX5CA2CA12
SCHEMBL3775339 0.79 SKP2 (0.63) KDM4EGAAMAPTALDH1A1ALOX5
SCHEMBL1300912 0.78 GAA (0.54) KDM4EGAAMAPTALDH1A1CA2
SCHEMBL4183446 0.77 CAPN1 (0.43) KDM4EALDH1A1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12144816-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2024-11-19 — — US disclosed
EP-4292662-A2 SUBSTITUTED INDOLE MCL-1 INHIBITORS Vanderbilt University (US) 2023-12-20 — — EP disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 — — US disclosed
EP-3423435-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2023-08-23 — — EP disclosed
US-11596639-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2023-03-07 — — US disclosed
CN-109153643-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2022-06-21 — — CN disclosed
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 DOMAIN THERAPEUTICS (FR) 2022-03-24 — — US disclosed
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 — — US disclosed
EP-3827001-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 Domain Therapeutics (FR) 2021-06-02 — — EP disclosed
CN-112566906-A Substituted quinazolinone derivatives and their use as positive allosteric modulators of MGLUR4 多曼治疗学公司 2021-03-26 — — CN disclosed
US-7790724-B2 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2010-09-07 — — US disclosed
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 — — US disclosed
CN-101466686-A C-FMS kinase inhibitor JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 — — CN disclosed
EP-2016057-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-21 — — EP disclosed
WO-2007123516-A1 C-FMS KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-01 — — WO disclosed
US-20060258666-A1 c-fms kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-16 — — US disclosed
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 — — US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 — — US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 — — EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 — — WO 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 (7 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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885MAPT 2996/4885
US-20100160388-A1 DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS P2RY1, P2RX1, P2RX3 KDM4E 2644/4885GAA 4302/4885MAPT 1035/4885
US-12144816-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885MAPT 2996/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885MAPT 2996/4885
US-20060258666-A1 c-fms kinase inhibitors FLT3, FES, FER KDM4E 1464/4885GAA 4492/4885MAPT 353/4885
US-11596639-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL9 KDM4E 1156/4885GAA 3420/4885MAPT 2996/4885
US-20220089609-A1 SUBSTITUTED QUINAZOLINONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR4 GRIK4, GRM4, GRIA4 KDM4E 825/4885GAA 3756/4885MAPT 1934/4885

“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.