SCHEMBL7128348

SCHEMBL7128348

O=C(Nc1cccnc1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
CYP11B1 P15538 1/20 0.71
CYP11B2 P19099 1/20 0.71
ALDH1A1 P00352 3/20 0.71
MAPT P10636 2/20 0.71
POLB P06746 1/20 0.71
CYP3A4 P08684 2/20 0.68
MAPK1 P28482 2/20 0.68
PPARG P37231 2/20 0.68
ALOX15 P16050 1/20 0.68
PPARA Q07869 1/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C9 P11712 1/20 0.67
PKM P14618 1/20 0.67
TSHR P16473 1/20 0.67

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
SCHEMBL3937705 0.93 SMN1; SMN2 (0.82) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7123399 0.91 SMN1; SMN2 (0.71) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7119714 0.91 SMN1; SMN2 (0.71) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7129863 0.88 SMN1; SMN2 (0.67) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7122946 0.88 SMN1; SMN2 (0.67) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7122859 0.87 MAPK1 (0.86) SMN1; SMN2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL7129256 0.84 RORC (0.85) SMN1; SMN2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL7371634 0.84 CYP11B1 (1.00) SMN1; SMN2CYP11B1CYP11B2ALDH1A1MAPT
SCHEMBL7127507 0.84 PPARG (0.80) SMN1; SMN2ALDH1A1MAPTPOLBCYP3A4
SCHEMBL7122882 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1MAPTPOLBCYP3A4

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 3743/4885CYP11B1 123/4885CYP11B2 159/4885

“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.