SCHEMBL4834140

SCHEMBL4834140

Cn1ncc(C=CC(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 4/20 0.44
KDR P35968 4/20 0.44
CCR2 P41597 1/20 0.43
MAOB P27338 1/20 0.42
CCNC P24863 4/20 0.41
CDK8 P49336 4/20 0.41
NAMPT P43490 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HTR2A P28223 2/20 0.39
CDK19 Q9BWU1 1/20 0.39
HTR2C P28335 1/20 0.39
GGPS1 O95749 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL4834118 1.00 FLT1 (0.44) FLT1KDRCCR2MAOBCCNC
SCHEMBL4833779 0.90 FLT1 (0.42) FLT1KDRCCR2MAOBCCNC
SCHEMBL4831171 0.90 CCNC (0.44) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4831155 0.90 CCNC (0.44) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4834355 0.90 CCNC (0.44) MAOBCCNCCDK8CDK19NPC1
SCHEMBL4829248 0.89 FLT1 (0.41) FLT1KDRCCR2MAOBCCNC
SCHEMBL4833656 0.89 HDAC1 (0.44) CCR2CCNCCDK8CDK19LMNA
SCHEMBL4833642 0.89 HDAC1 (0.44) CCR2CCNCCDK8CDK19LMNA
SCHEMBL4829249 0.88 HDAC1 (0.46) CCNCCDK8CDK19NPC1LMNA
SCHEMBL4833418 0.88 HDAC1 (0.44) FLT1KDRCCNCCDK8HTR2A

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 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.