SCHEMBL4082500

SCHEMBL4082500

Cc1ccc([N+](=O)[O-])cc1Nc1ncc(-c2cccnc2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.57
ABL1 P00519 6/20 0.57
HDAC3 O15379 5/20 0.57
PDGFRB P09619 5/20 0.57
HDAC4 P56524 5/20 0.57
HDAC1 Q13547 5/20 0.57
HDAC7 Q8WUI4 5/20 0.57
HDAC2 Q92769 5/20 0.57
HDAC10 Q969S8 5/20 0.57
HDAC11 Q96DB2 5/20 0.57
HDAC8 Q9BY41 5/20 0.57
HDAC6 Q9UBN7 5/20 0.57
HDAC9 Q9UKV0 5/20 0.57
HDAC5 Q9UQL6 5/20 0.57
KMO O15229 2/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.46
EGFR P00533 1/20 0.44

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
SCHEMBL30279956 1.00 KDR (0.57) KDRABL1HDAC3PDGFRBHDAC4
Bromide SCHEMBL4082630 0.99 KDR (0.56) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL1097467 0.82 GAA (0.72) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL30672478 0.82 GAA (0.72) GAAMEN1KMT2AALDH1A1RAB9A
SCHEMBL4077801 0.81 ABL1 (0.64) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL4092090 0.81 KDR (0.60) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL30279950 0.81 KDR (0.60) KDRABL1HDAC3PDGFRBHDAC4
Bromide SCHEMBL4079422 0.80 ABL1 (0.62) KDRABL1HDAC3PDGFRBHDAC4
SCHEMBL3562948 0.79 CYP1A2 (0.47) ABL1GAAMEN1KMT2AALDH1A1
SCHEMBL783033 0.79 MAPK10 (0.49) KDRABL1GAAALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN claimed
CN-115850258-A Synthesis method of masitinib 东北林业大学 2023-03-28 CN disclosed
US-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES 4SC AG (DE) 2011-03-17 US disclosed
EP-2060565-A1 Novel bifunctional compounds which inhibit protein kinases and histone deacetylases 4SC AG (DE) 2009-05-20 EP 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-20110065734-A1 NOVEL BIFUNCTIONAL COMPOUNDS WHICH INHIBIT PROTEIN KINASES AND HISTONE DEACETYLASES HDAC1, HDAC11, MAP2K2 KDR 2658/4885ABL1 783/4885HDAC3 18/4885

“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.