SCHEMBL7126974

SCHEMBL7126974

O=C(Nc1ncc(Br)s1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.57
MAPK1 P28482 3/20 0.57
CYP3A4 P08684 2/20 0.57
PPARG P37231 2/20 0.57
ALOX15 P16050 1/20 0.57
PPARA Q07869 1/20 0.57
RORC P51449 8/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL7128930 0.86 RORC (0.59) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL5836520 0.83 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL7128305 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL1455231 0.79 STAT3 (0.63) SMN1; SMN2CYP3A4MEN1KMT2AMAPT
SCHEMBL7130981 0.78 MAPT (0.62) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL29642079 0.77 CCNE1 (0.53) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL722948 0.77 CCNE1 (0.53) SMN1; SMN2MEN1KMT2AMAPTCYP1A2
SCHEMBL7132352 0.77 SMN1; SMN2 (0.60) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL7129461 0.77 DYRK1A (0.70) SMN1; SMN2MAPK1CYP3A4PPARGALOX15
SCHEMBL7118616 0.77 SMN1; SMN2 (0.67) SMN1; SMN2MAPK1CYP3A4PPARGALOX15

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
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD SMN1; SMN2 3743/4885MAPK1 231/4885CYP3A4 1516/4885

“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.