SCHEMBL3918977

SCHEMBL3918977

OCc1cccc(CN(CCc2ccccc2)c2nc(-c3ccccc3)cs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GSTO1 P78417 2/20 0.46
CPB1 P15086 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 2/20 0.40
S1PR1 P21453 1/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 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
SCHEMBL3451612 0.91 KMT2A (0.53) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL18674595 0.88 KMT2A (0.51) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL3917014 0.82 KMT2A (0.45) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1745545 0.82 KMT2A (0.54) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL3909417 0.81 KMT2A (0.49) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL3918017 0.80 FFAR1 (0.57)
SCHEMBL3628986 0.80 MAPT (0.44) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL1744940 0.79 KMT2A (0.53) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL3622785 0.78 KMT2A (0.53) KMT2AMEN1L3MBTL1GSTO1CPB1
SCHEMBL3911602 0.78 NPSR1 (0.51) KMT2AMEN1NPSR1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US 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 (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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 KMT2A 561/4885MEN1 3239/4885L3MBTL1 4763/4885
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.