SCHEMBL4829464

SCHEMBL4829464

CCOP(=O)(OCC)C(O)c1ccc(NC(=O)C=Cc2cnn(C)c2-c2ccc(F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 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
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
GAA P10253 1/20 0.37
CDK19 Q9BWU1 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GRM5 P41594 1/20 0.36
EGFR P00533 1/20 0.35
MMP1 P03956 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
SCHEMBL4829459 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBCA12CA1
SCHEMBL4833471 0.90 LMNA (0.38) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4833465 0.90 LMNA (0.38) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL4834004 0.87 CCNC (0.41) POLBCCNCCDK8CDK19LMNA
SCHEMBL4834017 0.87 CCNC (0.41) POLBCCNCCDK8CDK19LMNA
SCHEMBL4825717 0.87 NPC1 (0.39) ALDH1A1KDM4EPOLBCCNCCDK8
SCHEMBL4825720 0.87 NPC1 (0.39) ALDH1A1KDM4EPOLBCCNCCDK8
SCHEMBL4829084 0.84 BTK (0.41) ALDH1A1KDM4ECCNCCDK8CDK19
SCHEMBL1060125 0.84 BTK (0.41) ALDH1A1KDM4ECCNCCDK8CDK19
SCHEMBL4834135 0.83 CCNC (0.44) ALDH1A1KDM4ECCNCCDK8CDK19

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 3 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

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 2652/4885KDM4E 4406/4885POLB 3700/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885KDM4E 4406/4885POLB 3700/4885

“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.