SCHEMBL3909417

SCHEMBL3909417

COC(=O)c1cccc(CN(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
NR3C1 P04150 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GSTO1 P78417 2/20 0.44
CPB1 P15086 1/20 0.44
HTT P42858 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
NPC1 O15118 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42

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 0.90 KMT2A (0.54) KMT2AMEN1L3MBTL1NPSR1NR3C1
SCHEMBL1746543 0.86 KMT2A (0.53) KMT2AMEN1L3MBTL1NPSR1RAB9A
SCHEMBL3912466 0.84 NPSR1 (0.48) KMT2AMEN1L3MBTL1NPSR1RAB9A
SCHEMBL18674595 0.83 KMT2A (0.51) KMT2AMEN1L3MBTL1NPSR1RAB9A
SCHEMBL3918977 0.81 KMT2A (0.48) KMT2AMEN1L3MBTL1NPSR1RAB9A
SCHEMBL3911602 0.81 NPSR1 (0.51) KMT2AMEN1NPSR1ALDH1A1MAPT
SCHEMBL1746924 0.81 KMT2A (0.52) KMT2AMEN1L3MBTL1NPSR1RAB9A
SCHEMBL3917024 0.79 NPSR1 (0.53) KMT2AMEN1L3MBTL1NPSR1ALDH1A1
SCHEMBL1744789 0.79 KMT2A (0.54) KMT2AMEN1L3MBTL1NPSR1NR3C1
SCHEMBL3628978 0.78 KMT2A (0.47) KMT2AMEN1L3MBTL1NPSR1RAB9A

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 9 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
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 KMT2A 3549/4885MEN1 2970/4885L3MBTL1 2976/4885

“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.