SCHEMBL3912466

SCHEMBL3912466

COC(=O)c1ccc(CN(CCc2ccccc2)c2nc(-c3ccccc3)cs2)nc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
KMT2A Q03164 7/20 0.47
MEN1 O00255 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
GSTO1 P78417 3/20 0.42
CPB1 P15086 1/20 0.42
FAAH O00519 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL3451487 0.88 KMT2A (0.54) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL3909417 0.84 KMT2A (0.49) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL3909391 0.82 NPSR1 (0.49) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL3917014 0.81 KMT2A (0.45) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL3918686 0.79 FFAR1 (0.52) NPSR1KMT2AMEN1MAPT
SCHEMBL1746924 0.79 KMT2A (0.52) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL1744789 0.76 KMT2A (0.54) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL18423708 0.75 FAAH (0.43) KMT2AL3MBTL1MAPTRAB9AFAAH
SCHEMBL3917024 0.75 NPSR1 (0.53) NPSR1KMT2AMEN1L3MBTL1HTT
SCHEMBL1747338 0.74 KMT2A (0.56) NPSR1KMT2AMEN1L3MBTL1HTT

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
EP-1698624-B1 PHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2012-06-27 EP disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-7585880-B2 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-08 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
US-20070155808-A1 Phenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 US disclosed
EP-1698624-A1 PHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-09-06 EP 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-20070155808-A1 Phenylpropanoic acid derivatives GPR119, GPR55, FFAR1 NPSR1 169/4885KMT2A 3549/4885MEN1 2970/4885

“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.