SCHEMBL4493748

SCHEMBL4493748

CCOC(=O)c1sc(Sc2ccccc2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 2/20 0.58
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 3/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
APOBEC3G Q9HC16 1/20 0.54
CDC7 O00311 2/20 0.53
DBF4 Q9UBU7 2/20 0.53
LMNA P02545 2/20 0.53
CYP2C9 P11712 1/20 0.53
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50

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
SCHEMBL4919985 0.83 SMN1; SMN2 (0.55) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL4765587 0.82 RAB9A (0.41) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL13437895 0.78 LMNA (0.72) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL20752382 0.77 ALDH1A1 (0.76) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL7062156 0.77 ALDH1A1 (0.45) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL1316281 0.76 CDC7 (0.77) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL6491341 0.76 CDC7 (0.54) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL13403921 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL11825471 0.74 ALDH1A1 (0.63) ALDH1A1HSD17B10NPC1RAB9AMAPT
SCHEMBL2885006 0.74 NPC1 (0.59) ALDH1A1HSD17B10NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-4077968-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1978-03-07 US disclosed
US-4025528-A ANTIINFLAMMATORY, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1977-05-24 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 (1 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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R ALDH1A1 1837/4885HSD17B10 344/4885NPC1 386/4885

“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.