SCHEMBL13761007

SCHEMBL13761007

CCN(C)C(=O)CCc1ccc(Nc2ncc(-c3ccc(OC)cc3)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CDK1 P06493 1/20 0.46
KDR P35968 1/20 0.46
CSNK2A1 P68400 1/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
F2RL1 P55085 1/20 0.42
ALOX5 P09917 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
MCHR1 Q99705 1/20 0.41
SYK P43405 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1734417 0.91 HDAC1 (0.50) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL1736675 0.85 FFAR1 (0.58) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL1736454 0.80 MCHR1 (0.56) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL1736584 0.80 CDK1 (0.49) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL1735380 0.80 CDK1 (0.65) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL13605625 0.80 MCHR1 (0.46) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL4294473 0.78 MCHR1 (0.54) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL14499129 0.78 ALDH1A1 (0.51) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL13605472 0.78 CSNK2A1 (0.45) HDAC3HDAC1HDAC2HDAC6CDK1
SCHEMBL1735195 0.77 CDK1 (0.53) HDAC3HDAC1HDAC2HDAC6CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563894-B2 Diarylamine-containing compounds and compositions, and their use as modulators of c-kit receptors IRM LLC (BM) 2009-07-21 US disclosed
US-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS IRM LLC, A DELAWARE LIMITED LIABILITY COMAPNY (BM) 2008-07-10 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 (1 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-20080167308-A1 DIARYLAMINE-CONTAINING COMPOUNDS AND COMPOSITIONS, AND THEIR USE AS MODULATORS OF C-KIT RECEPTORS KIT, PRKCH, PRKCE HDAC3 1430/4885HDAC1 1367/4885HDAC2 1489/4885

“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.