SCHEMBL4829335

SCHEMBL4829335

CCOP(=O)(Cc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2cccc(F)c2)cc1)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.45
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CCR2 P41597 1/20 0.38
CCNC P24863 6/20 0.38
CDK8 P49336 6/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
NPY5R Q15761 1/20 0.36
CDK19 Q9BWU1 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MAOB P27338 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
SCHEMBL4827070 0.92 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL4834605 0.90 BTK (0.45) BTKSMN1; SMN2LMNAKMT2ACCNC
SCHEMBL4829084 0.90 BTK (0.41) BTKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1060125 0.90 BTK (0.41) BTKNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4829174 0.90 CCNC (0.43) BTKRAB9AKMT2ACCNCCDK8
SCHEMBL4834237 0.89 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL4834263 0.89 NPC1 (0.42) NPC1RAB9AKDM4ESMN1; SMN2LMNA
SCHEMBL4829212 0.86 NAMPT (0.43) BTKNPC1RAB9AKMT2ACCNC
SCHEMBL4829228 0.86 NAMPT (0.43) BTKNPC1RAB9AKMT2ACCNC
SCHEMBL4829197 0.85 HDAC1 (0.41) BTKKDM4ESMN1; SMN2LMNAKMT2A

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 3555/4885NPC1 1170/4885RAB9A 4059/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 BTK 3555/4885NPC1 1170/4885RAB9A 4059/4885

“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.