SCHEMBL7130372

SCHEMBL7130372

O=C(Nc1nc2cc(Cl)ccc2o1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 13/20 0.63
CYP2C8 P10632 1/20 0.56
PTGS2 P35354 1/20 0.54
THRB P10828 2/20 0.54
MAPT P10636 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALOX15 P16050 1/20 0.54
PPARA Q07869 1/20 0.54
FBP1 P09467 1/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL3616689 0.83 KCNH2 (0.53) PPARGMAPTSMN1; SMN2FBP1MEN1
SCHEMBL4513731 0.83 MAPT (0.76) PPARGCYP2C8PTGS2THRBMAPT
SCHEMBL3607740 0.81 MAPT (0.52) MAPTCYP3A4SMN1; SMN2FBP1TP53
SCHEMBL13265985 0.81 PPARG (0.50) PPARGTHRBMAPTFBP1TP53
SCHEMBL13265936 0.80 FBP1 (0.47) PPARGTHRBMAPTSMN1; SMN2FBP1
SCHEMBL13265900 0.80 CETP (0.49) PPARGTHRBMAPTSMN1; SMN2FBP1
SCHEMBL27188334 0.80 PPARG (0.76) PPARGCYP2C8PTGS2THRBMAPT
SCHEMBL27188338 0.80 PPARG (0.82) PPARGCYP2C8PTGS2THRBMAPT
SCHEMBL23162789 0.79 ALDH1A1 (0.57) PPARGPTGS2MAPTMAPK1SMN1; SMN2
SCHEMBL14840973 0.78 PPARG (0.78) PPARGCYP2C8PTGS2MAPTPPARA

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
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 PPARG 1/4885CYP2C8 2400/4885PTGS2 596/4885

“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.