SCHEMBL4829295

SCHEMBL4829295

CSCc1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(SC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CCNC P24863 13/20 0.41
CDK8 P49336 13/20 0.41
CDK19 Q9BWU1 1/20 0.41
MCHR1 Q99705 1/20 0.38
TBXA2R P21731 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGDR Q13258 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
SCHEMBL4829304 1.00 ALDH1A1 (0.44) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL4836835 0.90 CCNC (0.45) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4836847 0.90 CCNC (0.45) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL4834554 0.87 LMNA (0.46) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL4834544 0.87 LMNA (0.46) ALDH1A1LMNAKDM4EMEN1NPC1
SCHEMBL4836602 0.80 CCNC (0.43) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL4836600 0.80 CCNC (0.43) ALDH1A1LMNANPC1RAB9AKMT2A
SCHEMBL4834470 0.80 EGFR (0.44) LMNAKDM4EMEN1NPC1RAB9A
SCHEMBL4834487 0.80 EGFR (0.44) LMNAKDM4EMEN1NPC1RAB9A
SCHEMBL4831270 0.80 CCNC (0.43) LMNAKDM4ENPC1RAB9ASMN1; SMN2

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 4 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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 2652/4885LMNA 2405/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885LMNA 2405/4885KDM4E 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.