SCHEMBL13838688

SCHEMBL13838688

C/N=C\c1cc(Oc2ccc(NC)c([N+](=O)[O-])c2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ HTT P42858 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ CDC25B P30305 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ PKM P14618 1/20 0.35

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
SCHEMBL13211117 0.90 KDM4E (0.43) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL2891150 0.90 KDM4E (0.43) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL2891152 0.90 KDM4E (0.43) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL2890061 0.89 SMN1; SMN2 (0.41) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL13211125 0.89 SMN1; SMN2 (0.41) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL1435159 0.87 HCAR3 (0.42) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL13559522 0.81 HCAR3 (0.45) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL6522547 0.80 HCAR3 (0.57) HCAR3MAPTHTTKMT2ANPC1
SCHEMBL13838687 0.80 KDR (0.34) —
SCHEMBL4326964 0.80 HCAR3 (0.44) HCAR3MAPTHTTKMT2ANPC1

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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 — — 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-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HCAR3 3234/4885MAPT 3948/4885HTT 4527/4885

“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.

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