SCHEMBL6906491

SCHEMBL6906491

O=C(Nc1ncc(-c2cccc(OC(F)(F)F)c2)s1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CDK5 Q00535 1/20 0.43
FBP1 P09467 1/20 0.42
POLQ O75417 1/20 0.42
KMO O15229 2/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
MAPK9 P45984 1/20 0.41
RAB9A P51151 1/20 0.41
ABL1 P00519 2/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL5353883 0.87 KDR (0.53) MAPTMEN1KMT2ANPSR1CCNE1
SCHEMBL17731768 0.78 MGLL (0.44) MAPTMEN1KMT2AHTTCCNE1
SCHEMBL13453223 0.77 CCNE1 (0.67) MEN1KMT2ACCNE1CDK2CDK5
SCHEMBL14018636 0.76 CCNE1 (0.58) MEN1KMT2ACCNE1CDK2CDK5
SCHEMBL27930246 0.73 XDH (0.45) MAPTMEN1KMT2ANPSR1HTT
SCHEMBL31158631 0.72 GAA (0.50) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL31158610 0.72 GAA (0.53) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL6250918 0.71 KDR (0.72) CCNE1CDK2CDK5ABL1KDR
SCHEMBL17372922 0.71 HTT (0.56) MAPTMEN1KMT2ANPSR1TP53
SCHEMBL24232850 0.71 CSNK2A2 (0.64) MAPTMEN1KMT2AHTTCCNE1

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-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-7265134-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20040192926-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2004-09-30 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-20040192926-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 MAPT 1182/4885MEN1 4406/4885KMT2A 3298/4885

“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.