SCHEMBL7129183

SCHEMBL7129183

O=C(Nc1ncccc1[N+](=O)[O-])c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.69
NPC1 O15118 1/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 1/20 0.69
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 2/20 0.61
PPARG P37231 2/20 0.61
ALOX15 P16050 1/20 0.61
PPARA Q07869 1/20 0.61
RORC P51449 11/20 0.60
TP53 P04637 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
MAPT P10636 1/20 0.60
CYP2C9 P11712 1/20 0.60
PKM P14618 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL15547417 0.87 SMN1; SMN2 (0.68) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7263545 0.82 SMN1; SMN2 (1.00) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7118922 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL2585157 0.81 TP53 (0.82) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7121694 0.81 RORC (0.69) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL3832886 0.80 RORC (0.77) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7129165 0.79 SMN1; SMN2 (0.59) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7123389 0.79 RORC (0.61) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL27993393 0.79 ALDH1A1 (0.55) SMN1; SMN2NPC1HTTRAB9AMEN1
SCHEMBL7128951 0.78 SMN1; SMN2 (0.76) SMN1; SMN2NPC1HTTRAB9AMEN1

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 3743/4885NPC1 1152/4885HTT 4694/4885

“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.