SCHEMBL4831387

SCHEMBL4831387

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2nn(C)cc2-c2ccc(F)cc2)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.39
CSNK1D P48730 3/20 0.38
CSNK1E P49674 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CCNC P24863 3/20 0.37
CDK8 P49336 3/20 0.37
CDK19 Q9BWU1 1/20 0.37
MMP1 P03956 3/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
EGFR P00533 1/20 0.36
HPSE Q9Y251 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL4825702 0.88 ALDH1A1 (0.41) CSNK1DCSNK1EALDH1A1CYP1A2GAA
SCHEMBL4825691 0.88 ALDH1A1 (0.41) CSNK1DCSNK1EALDH1A1CYP1A2GAA
SCHEMBL4829181 0.86 HDAC1 (0.46) CSNK1DCSNK1EALDH1A1CYP1A2CYP2C9
SCHEMBL4829130 0.82 BTK (0.41) BTKCCNCCDK8CDK19MMP1
SCHEMBL1060125 0.81 BTK (0.41) BTKALDH1A1CCNCCDK8CDK19
SCHEMBL4829084 0.81 BTK (0.41) BTKALDH1A1CCNCCDK8CDK19
SCHEMBL4834758 0.80 GRM5 (0.39) BTKALDH1A1CYP1A2GAACYP2C9
SCHEMBL4831397 0.80 MAOB (0.41) CSNK1DCSNK1EALDH1A1CYP1A2GAA
SCHEMBL4831381 0.80 MAOB (0.41) CSNK1DCSNK1EALDH1A1CYP1A2GAA
SCHEMBL14930585 0.80 CCNC (0.59) BTKCCNCCDK8CDK19

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 BTK 3555/4885CSNK1D 2708/4885CSNK1E 2860/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 BTK 3555/4885CSNK1D 2708/4885CSNK1E 2860/4885

“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.