SCHEMBL4834295

SCHEMBL4834295

CCC(CC)(c1ccc(NC(=O)/C=C/c2cnn(C)c2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC1 Q13547 4/20 0.40
HDAC2 Q92769 4/20 0.40
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
CDK19 Q9BWU1 1/20 0.38
LMNA P02545 2/20 0.38
HTR2A P28223 4/20 0.38
CHRM1 P11229 1/20 0.38
MCHR1 Q99705 1/20 0.38
MMP1 P03956 2/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
EGFR P00533 1/20 0.37
HTR2C P28335 2/20 0.37
FLT1 P17948 1/20 0.37
KDR P35968 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
SCHEMBL4834314 1.00 MAPT (0.41) MAPTMEN1KMT2AHDAC1HDAC2
SCHEMBL4829207 0.92 HDAC1 (0.39) MAPTMEN1KMT2AHDAC1HDAC2
SCHEMBL4829186 0.92 HDAC1 (0.39) MAPTMEN1KMT2AHDAC1HDAC2
SCHEMBL4829196 0.91 HDAC1 (0.41) MAPTMEN1KMT2AHDAC1HDAC2
SCHEMBL4829079 0.91 MAOB (0.41) CCNCCDK8CDK19LMNAMMP1
SCHEMBL4829241 0.91 FLT1 (0.42) LMNAHTR2AMCHR1HTR2CFLT1
SCHEMBL1060129 0.91 MAOB (0.41) CCNCCDK8CDK19LMNAMMP1
SCHEMBL4830990 0.91 MAOB (0.41) CCNCCDK8CDK19LMNAMMP1
SCHEMBL4829260 0.91 FLT1 (0.42) LMNAHTR2AMCHR1HTR2CFLT1
SCHEMBL4829168 0.91 HDAC1 (0.41) MAPTMEN1KMT2AHDAC1HDAC2

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 MAPT 3203/4885MEN1 3516/4885KMT2A 1653/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 MAPT 3203/4885MEN1 3516/4885KMT2A 1653/4885

“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.