SCHEMBL4833779

SCHEMBL4833779

COP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)cc1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 4/20 0.42
KDR P35968 4/20 0.42
CCR2 P41597 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 1/20 0.41
MAOB P27338 1/20 0.40
CCNC P24863 4/20 0.39
CDK8 P49336 4/20 0.39
MCHR1 Q99705 2/20 0.39
CDK19 Q9BWU1 1/20 0.37
NAMPT P43490 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37

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
SCHEMBL4829248 0.91 FLT1 (0.41) FLT1KDRCCR2HTR2AHTR2C
SCHEMBL4833889 0.90 CCNC (0.42) HTR2AHTR2CCCNCCDK8CDK19
SCHEMBL4834118 0.90 FLT1 (0.44) FLT1KDRCCR2HTR2AHTR2C
SCHEMBL4834140 0.90 FLT1 (0.44) FLT1KDRCCR2HTR2AHTR2C
SCHEMBL4834038 0.89 HDAC1 (0.44) CCR2CCNCCDK8CDK19MEN1
SCHEMBL4834311 0.88 HDAC1 (0.45) HTR2AHTR2CCCNCCDK8CDK19
SCHEMBL4834616 0.88 HDAC1 (0.45) FLT1KDRHTR2AHTR2CCCNC
SCHEMBL4829342 0.88 HDAC1 (0.48) MEN1KMT2ANPC1GMNNLMNA
SCHEMBL4829232 0.88 HDAC1 (0.48) MEN1KMT2ANPC1GMNNLMNA
SCHEMBL4834010 0.88 CCNC (0.45) CCNCCDK8CDK19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 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 (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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 FLT1 3414/4885KDR 1100/4885CCR2 334/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 FLT1 3414/4885KDR 1100/4885CCR2 334/4885

“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.