SCHEMBL4825720

SCHEMBL4825720

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CCNC P24863 6/20 0.39
CDK8 P49336 6/20 0.39
CDK19 Q9BWU1 2/20 0.39
MMP1 P03956 4/20 0.38
MMP2 P08253 4/20 0.38
MMP9 P14780 4/20 0.38
EGFR P00533 1/20 0.38
GRM5 P41594 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
TP53 P04637 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
SCHEMBL4825717 1.00 NPC1 (0.39) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4829084 0.88 BTK (0.41) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL1060125 0.88 BTK (0.41) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4836505 0.87 MMP1 (0.42) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4836487 0.87 MMP1 (0.42) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4829464 0.87 ALDH1A1 (0.39) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4834135 0.87 CCNC (0.44) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4829459 0.87 ALDH1A1 (0.39) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4834146 0.87 CCNC (0.44) NPC1RAB9ALMNASMN1; SMN2CCNC
SCHEMBL4833465 0.85 LMNA (0.38) NPC1RAB9ALMNASMN1; SMN2CCNC

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 NPC1 1170/4885RAB9A 4059/4885LMNA 2405/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 NPC1 1170/4885RAB9A 4059/4885LMNA 2405/4885

“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.