SCHEMBL1272228

SCHEMBL1272228

CC(C)c1nc2c(Cl)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 2/20 0.51
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
PARP1 P09874 6/20 0.44
ADORA1 P30542 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
MGAM O43451 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
NUDT1 P36639 1/20 0.41
MLKL Q8NB16 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
EGFR P00533 1/20 0.37

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
SCHEMBL38664296 0.86 PARP1 (0.60) PSMB8ALDH1A1LMNAPARP1ADORA1
SCHEMBL20252448 0.86 PSMB8 (0.49) PSMB8HSD17B10ALDH1A1HPGDPARP1
SCHEMBL24995382 0.80 HSD17B10 (0.49) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL4125230 0.80 MGAM (0.50) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL6489669 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL7966359 0.79 MEN1 (0.50) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL4118985 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL29967781 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL28871223 0.79 HSD17B10 (0.47) HSD17B10ALDH1A1HPGDKDM4ELMNA
SCHEMBL4173826 0.77 PSMB8 (0.46) PSMB8ALDH1A1HPGDKDM4EPARP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof Epizyme, Inc. (US) 2019-06-04 US disclosed
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-11-23 US disclosed
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
US-20110034526-A1 Benzimidazole Compounds WYETH LLC (US) 2011-02-10 US disclosed
EP-2231617-A1 BENZIMIDAZOLE COMPOUNDS Wyeth LLC (US) 2010-09-29 EP disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 WO disclosed
WO-2009086138-A1 BENZIMIDAZOLE COMPOUNDS WYETH (US) 2009-07-09 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 (3 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-20110034526-A1 Benzimidazole Compounds NR1H4, NR1H2, NR1H3 PSMB8 3095/4885HSD17B10 210/4885ALDH1A1 683/4885
US-10307413-B2 Tetrahydro- and dihydro-isoquinoline PRMT5 inhibitors and uses thereof PRMT5, PRMT1, PRMT3 PSMB8 4389/4885HSD17B10 1607/4885ALDH1A1 1890/4885
US-20170334861-A1 TETRAHYDRO- AND DIHYDRO-ISOQUINOLINE PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT3 PSMB8 4389/4885HSD17B10 1607/4885ALDH1A1 1890/4885

“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.