SCHEMBL6797781

SCHEMBL6797781

Nc1cccc(-c2cccc([N+](=O)[O-])c2F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
MAP4K4 O95819 1/20 0.41
S100A4 P26447 2/20 0.41
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.39
PDE7A Q13946 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL10711666 0.85 ALDH1A1 (0.65) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL1999472 0.82 ALDH1A1 (0.69) TDP1ALDH1A1CYP3A4TSHRS100A4
SCHEMBL2405410 0.81 GPR35 (0.55) TDP1ALDH1A1CYP3A4ALOX15TSHR
Bromide SCHEMBL4334733 0.80 GPR35 (0.53) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL28297743 0.79 ALDH1A1 (0.44) TDP1ALDH1A1S100A4MEN1MAPT
SCHEMBL13482044 0.78 ERN1 (0.51) TDP1ALDH1A1TSHRMAOAMAPT
SCHEMBL2000140 0.78 EIF4E (0.45) TDP1ALDH1A1S100A4MAOAMEN1
SCHEMBL4408381 0.76 TDP1 (0.51) TDP1ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL29565552 0.76 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4S100A4MAPK1
SCHEMBL26164145 0.76 ALDH1A1 (0.56) TDP1ALDH1A1CYP3A4S100A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029596-B1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE-BENZOTHIAZEPINES, THE PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME SANOFI AVENTIS (FR) 2010-02-24 EP disclosed
US-20040106630-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 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-20040106630-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 TDP1 1109/4885ALDH1A1 3733/4885CYP3A4 3479/4885

“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.