SCHEMBL4601893

SCHEMBL4601893

COc1cccc(NC(=O)c2ccnc3ccccc23)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
MAPT P10636 2/20 0.58
NLRP3 Q96P20 1/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TP53 P04637 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FLT3 P36888 1/20 0.55
HIF1A Q16665 1/20 0.55
PDE4B Q07343 1/20 0.55

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
SCHEMBL15194904 0.86 DNMT1 (0.62) GRM4KMT2AMEN1NPC1RAB9A
SCHEMBL11031200 0.83 MAPT (0.62) GRM4KMT2AMEN1POLBTDP1
SCHEMBL7447310 0.82 HTR2C (0.67) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL379808 0.81 CYP3A4 (0.60) KMT2AMEN1TDP1MAPTGAA
Acetic Acid SCHEMBL11082070 0.81 MAPT (0.59) GRM4KMT2AMEN1POLBTDP1
SCHEMBL4601174 0.81 SMN1; SMN2 (0.62) KMT2AMEN1POLBTDP1MAPT
SCHEMBL4251710 0.80 ALDH1A1 (0.50) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL11082071 0.80 MAPT (0.58) GRM4KMT2AMEN1POLBTDP1
SCHEMBL28393198 0.79 GSK3A (0.73) MAPTKDM4ETP53
SCHEMBL2527996 0.77 GRM4 (1.00) GRM4KMT2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R GRM4 1317/4885KMT2A 916/4885MEN1 410/4885

“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.