SCHEMBL4829167

SCHEMBL4829167

CCC(CC)(c1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.44
CDK8 P49336 3/20 0.44
PTGS1 P23219 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
ROCK1 Q13464 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NTRK1 P04629 1/20 0.37
EGFR P00533 1/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
MAOB P27338 1/20 0.36
PLK1 P53350 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
SCHEMBL4829188 1.00 CCNC (0.44) CCNCCDK8PTGS1TRPV1ROCK1
SCHEMBL4829186 0.92 HDAC1 (0.39) CCNCCDK8MAPTMEN1KMT2A
SCHEMBL4829207 0.92 HDAC1 (0.39) CCNCCDK8MAPTMEN1KMT2A
SCHEMBL1060129 0.91 MAOB (0.41) CCNCCDK8RAB9ACDK19SMN1; SMN2
SCHEMBL4829079 0.91 MAOB (0.41) CCNCCDK8RAB9ACDK19SMN1; SMN2
SCHEMBL4829260 0.91 FLT1 (0.42) RAB9ASMN1; SMN2MAOB
SCHEMBL4829168 0.91 HDAC1 (0.41) CCNCCDK8MAPTMEN1KMT2A
SCHEMBL4829241 0.91 FLT1 (0.42) RAB9ASMN1; SMN2MAOB
SCHEMBL4830990 0.91 MAOB (0.41) CCNCCDK8RAB9ACDK19SMN1; SMN2
SCHEMBL4829196 0.91 HDAC1 (0.41) CCNCCDK8MAPTMEN1KMT2A

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 CCNC 2548/4885CDK8 2963/4885PTGS1 1761/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 CCNC 2548/4885CDK8 2963/4885PTGS1 1761/4885

“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.