SCHEMBL4831295

SCHEMBL4831295

COP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccco2)cc1)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
POLB P06746 6/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.39
CCNC P24863 5/20 0.38
CDK8 P49336 5/20 0.38
CDK19 Q9BWU1 1/20 0.38
IMPDH2 P12268 3/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4831148 0.91 BTK (0.39) ALDH1A1POLBRAB9AMAPTKMT2A
SCHEMBL4836344 0.90 MAPT (0.41) ALDH1A1POLBRAB9AMAPTKMT2A
SCHEMBL4836324 0.90 MAPT (0.41) ALDH1A1POLBRAB9AMAPTKMT2A
SCHEMBL4834010 0.85 CCNC (0.45) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL4834892 0.84 CCNC (0.40) ALDH1A1CCNCCDK8CDK19KDM4E
SCHEMBL4834905 0.84 CCNC (0.40) ALDH1A1CCNCCDK8CDK19KDM4E
SCHEMBL4834038 0.83 HDAC1 (0.44) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4825940 0.82 CCNC (0.40) RAB9AKMT2ANPC1CCNCCDK8
SCHEMBL4834616 0.82 HDAC1 (0.45) ALDH1A1RAB9AMAPTKMT2ANPC1
SCHEMBL4834311 0.82 HDAC1 (0.45) RAB9AMAPTKMT2ANPC1MEN1

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 ALDH1A1 2652/4885POLB 3700/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885POLB 3700/4885RAB9A 4059/4885

“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.