SCHEMBL4494484

SCHEMBL4494484

COc1ccccc1-c1ccc2c(NC(C)=O)n[nH]c2c1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.74
HDAC1 Q13547 3/20 0.70
HDAC2 Q92769 3/20 0.70
HDAC8 Q9BY41 3/20 0.70
FGFR4 P22455 2/20 0.56
DYRK1A Q13627 1/20 0.55
GSK3B P49841 3/20 0.54
AAK1 Q2M2I8 2/20 0.53
FGFR1 P11362 3/20 0.53
FGFR2 P21802 3/20 0.53
FGFR3 P22607 1/20 0.53
GSK3A P49840 1/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL4484335 0.88 HDAC1 (0.75) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4488293 0.88 HDAC6 (0.75) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4492176 0.88 HDAC1 (0.75) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4485209 0.88 HDAC6 (0.70) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4483037 0.88 HDAC6 (0.58) HDAC6HDAC1HDAC2HDAC8DYRK1A
SCHEMBL4488951 0.88 HDAC6 (0.64) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4493050 0.87 GSK3B (0.72) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4491569 0.87 HDAC1 (0.80) HDAC6HDAC1HDAC2HDAC8GSK3B
SCHEMBL4486394 0.85 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC8FGFR4
SCHEMBL4497932 0.85 HDAC6 (0.66) HDAC6HDAC1HDAC2HDAC8GSK3B

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-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR HDAC6 3478/4885HDAC1 3369/4885HDAC2 3786/4885

“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.