SCHEMBL14499097

SCHEMBL14499097

COc1ccc(Nc2ncc(-c3ccc(C)cc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GSK3B P49841 1/20 0.52
MAPT P10636 6/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
KDM4E B2RXH2 2/20 0.52
GFER P55789 1/20 0.52
AURKA O14965 1/20 0.51
SYK P43405 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.48
MAPK1 P28482 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL10976137 1.00 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL10971409 0.94 HDAC3 (0.59) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL10973669 0.86 ADORA2A (0.53) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL14499129 0.84 ALDH1A1 (0.51) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL27739213 0.83 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL10025013 0.83 RAB9A (0.71) GSK3BMAPTGAAALDH1A1NPSR1
SCHEMBL10970981 0.82 MEN1 (0.65) HDAC3HDAC1HDAC2HDAC6GSK3B
SCHEMBL1735195 0.82 CDK1 (0.53) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL1735169 0.82 ALDH1A1 (0.53) HDAC3HDAC1HDAC2HDAC6MAPT
SCHEMBL27717813 0.82 HDAC1 (0.63) HDAC3HDAC1HDAC2HDAC6AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 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-20070149538-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.