SCHEMBL4834237

SCHEMBL4834237

Cn1ncc(/C=C/C(=O)Nc2ccc(CP(=O)(O)O)cc2)c1-c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CCR2 P41597 1/20 0.40
CCNC P24863 8/20 0.40
CDK8 P49336 8/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GGPS1 O95749 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
MAOB P27338 1/20 0.38
NAMPT P43490 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTR2A P28223 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38

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
SCHEMBL4834263 1.00 NPC1 (0.42) NPC1RAB9AKDM4ECCR2CCNC
SCHEMBL4827070 0.90 NPC1 (0.42) NPC1RAB9AKDM4ECCR2CCNC
SCHEMBL4833270 0.89 KMT2A (0.44) CCNCCDK8LMNAKMT2ASMN1; SMN2
SCHEMBL4833244 0.89 KMT2A (0.44) CCNCCDK8LMNAKMT2ASMN1; SMN2
SCHEMBL4829335 0.89 BTK (0.45) NPC1RAB9AKDM4ECCR2CCNC
SCHEMBL4831155 0.89 CCNC (0.44) NPC1RAB9ACCNCCDK8LMNA
SCHEMBL4831171 0.89 CCNC (0.44) NPC1RAB9ACCNCCDK8LMNA
SCHEMBL4834355 0.89 CCNC (0.44) NPC1RAB9ACCNCCDK8LMNA
SCHEMBL4827118 0.89 CCNC (0.47) RAB9AKDM4ECCNCCDK8KMT2A
SCHEMBL4827126 0.89 CCNC (0.47) RAB9AKDM4ECCNCCDK8KMT2A

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 NPC1 1170/4885RAB9A 4059/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885RAB9A 4059/4885KDM4E 4406/4885

“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.