SCHEMBL885949

SCHEMBL885949

O=C(O)c1[nH]c(=O)n(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
GAA P10253 1/20 0.44
GSK3A P49840 1/20 0.44
CSNK2A1 P68400 2/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
CYP2C19 P33261 4/20 0.41
CYP1A2 P05177 3/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 2/20 0.41
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
NTRK3 Q16288 1/20 0.41
NTRK2 Q16620 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL885777 0.90 KMT2A (0.48) GAACSNK2A1KMT2AMEN1CYP1A2
SCHEMBL885984 0.87 PIN1 (0.48) CSNK2A1CYP2C19CYP1A2CYP2C9SMN1; SMN2
SCHEMBL885435 0.87 MDM2 (0.54) GAAKMT2AMEN1KDM4EPIN1
SCHEMBL885660 0.81 KMO (0.52) CYP2C19CYP2C9SMN1; SMN2PIN1ALDH1A1
SCHEMBL885816 0.80 KMT2A (0.46) GSK3BGAAGSK3AKMT2AMEN1
SCHEMBL885461 0.80 MAT2A (0.53) GAAKMT2AMEN1CYP2C19CYP1A2
SCHEMBL2063853 0.80 ALDH1A1 (0.42) GAAKMT2AMEN1CYP2C19CYP1A2
SCHEMBL2063138 0.79 SIGMAR1 (0.49) GAAKMT2AMEN1ALDH1A1HPGD
SCHEMBL885623 0.79 NTRK1 (0.48) GAACSNK2A1NTRK1IGF1RFGFR1
SCHEMBL885499 0.78 REN (0.45) GAACSNK2A1KMT2AMEN1KDM4E

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
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 WO claimed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
WO-2008089005-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-24 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 (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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT GSK3B 2792/4885GAA 96/4885GSK3A 2885/4885

“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.