SCHEMBL7122946

SCHEMBL7122946

O=C(Nc1ccc(-c2ccc(NC(=S)Nc3cccnc3)cc2)cc1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.67
PPARG P37231 3/20 0.63
CYP3A4 P08684 2/20 0.63
MAPK1 P28482 2/20 0.63
ALOX15 P16050 1/20 0.63
PPARA Q07869 1/20 0.63
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
RORC P51449 2/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
PKM P14618 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
THPO P40225 1/20 0.62

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
SCHEMBL7119714 0.97 SMN1; SMN2 (0.71) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL3937705 0.90 SMN1; SMN2 (0.82) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7122930 0.89 PPARG (0.80) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7122936 0.89 RORC (0.80) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7128348 0.88 SMN1; SMN2 (0.72) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7129863 0.87 SMN1; SMN2 (0.67) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7122882 0.86 SMN1; SMN2 (0.60) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7127082 0.85 SMN1; SMN2 (0.86) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7123399 0.83 SMN1; SMN2 (0.71) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15
SCHEMBL7120577 0.83 SMN1; SMN2 (0.64) SMN1; SMN2PPARGCYP3A4MAPK1ALOX15

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 claimed
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 3743/4885PPARG 1/4885CYP3A4 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.