SCHEMBL7122882

SCHEMBL7122882

O=C(Nc1ccc(CCNC(=S)Nc2cccnc2)cc1)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 7/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
HTT P42858 3/20 0.56
ALOX12 P18054 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
HSP90AA1 P07900 1/20 0.56
XBP1 P17861 1/20 0.56
MAPK1 P28482 3/20 0.56
CYP3A4 P08684 3/20 0.56
PPARG P37231 2/20 0.56
ALOX15 P16050 1/20 0.56
PPARA Q07869 1/20 0.56
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55

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
SCHEMBL7130379 0.90 KMT2A (0.69) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7119714 0.89 SMN1; SMN2 (0.71) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7122946 0.86 SMN1; SMN2 (0.67) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL3937705 0.84 SMN1; SMN2 (0.82) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7128348 0.82 SMN1; SMN2 (0.72) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7127573 0.81 KMT2A (0.61) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7119725 0.81 MEN1 (0.71) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7130748 0.79 KMT2A (0.62) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7123399 0.78 SMN1; SMN2 (0.71) SMN1; SMN2MAPTMEN1KMT2AALDH1A1
SCHEMBL7123352 0.78 KMT2A (0.52) SMN1; SMN2MAPTMEN1KMT2AALDH1A1

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
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US 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 3743/4885MAPT 4391/4885MEN1 4865/4885

“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.