SCHEMBL387547

SCHEMBL387547

CSc1ccc(-c2cnc(O)cn2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
OXTR P30559 3/20 0.36
MCL1 Q07820 1/20 0.33
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
KDM4E B2RXH2 2/20 0.31
AVPR1A P37288 2/20 0.31

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
SCHEMBL389054 0.83 ALOX5AP (0.43) ALOX5APFEN1
SCHEMBL384692 0.81 ALOX5AP (0.47) ALOX5APFEN1
SCHEMBL15698816 0.67 DRD1 (0.42) ALDH1A1MAPTLMNAKDM4EGAA
SCHEMBL2912899 0.66 MCL1 (0.53) ALDH1A1MAPTMEN1ALOX12KMT2A
SCHEMBL27530049 0.66 MCL1 (0.53) ALDH1A1MAPTMEN1ALOX12KMT2A
SCHEMBL8441489 0.66
SCHEMBL14400489 0.65 MEN1 (0.41) ALDH1A1MAPTMEN1ALOX12MAPK10
SCHEMBL388025 0.65 ALOX5AP (0.62) ALOX5APFEN1
Hydrochloric Acid SCHEMBL384917 0.64 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL8442226 0.62 MAPT (0.50) ALDH1A1MAPTKMT2AMCL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 1087/4885MAPT 4312/4885MEN1 3728/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC ALDH1A1 1087/4885MAPT 4312/4885MEN1 3728/4885

“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.