SCHEMBL389742

SCHEMBL389742

CSc1ccc(-c2ccc(O)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
STAT3 P40763 1/20 0.43
ATM Q13315 1/20 0.43
KDM1A O60341 1/20 0.41
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
ADORA3 P0DMS8 4/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4209856 0.78 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ADORA3ADORA2A
SCHEMBL19992711 0.78 APP (0.46) MAPTRAB9ANPC1SMN1; SMN2KDM1A
SCHEMBL10530044 0.75 PTGS2 (0.62) PTGS2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2435669 0.75 NPC1 (0.58) MAPTRAB9ANPC1SMN1; SMN2STAT3
SCHEMBL29352397 0.75 NPC1 (0.58) MAPTRAB9ANPC1SMN1; SMN2STAT3
SCHEMBL8592351 0.75 MEN1 (0.53) MAPTRAB9ANPC1SMN1; SMN2STAT3
SCHEMBL18573277 0.75 MMP3 (0.56) KDM1AHSD17B1HSD17B2CYP2C8CYP2C9
SCHEMBL2435624 0.75 MAPT (0.53) PTGS2MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30596175 0.74 RXFP1 (0.61) MAPTRAB9ANPC1SMN1; SMN2ATM
SCHEMBL2653377 0.74 LMNA (0.54) MAPTRAB9ANPC1SMN1; SMN2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102639500-B Tricyclic compound, preparation method and pharmaceutical use thereof SHANGHAI HENGRUI PHARM CO LTD 2015-02-11 CN disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 WO disclosed
US-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 US disclosed
EP-2094683-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SmithKline Beecham Corporation (US) 2009-09-02 EP disclosed
WO-2008070692-A2 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-12 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 (2 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PTGS2 1372/4885MAPT 4312/4885RAB9A 2962/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC PTGS2 1372/4885MAPT 4312/4885RAB9A 2962/4885

“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.