SCHEMBL12585014

SCHEMBL12585014

Cc1cc([N+](=O)[O-])cc(Cl)c1Sc1nc2cc(Cl)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PPARA Q07869 7/20 0.45
▸ ALOX5 P09917 4/20 0.43
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ GLB1 P16278 1/20 0.40
▸ CTRC Q99895 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL12584989 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPSR1PPARAALOX5MAOA
SCHEMBL12584984 0.91 PDK1 (0.41) SMN1; SMN2NPSR1PPARAMAOAMAOB
SCHEMBL2029836 0.85 PPARA (0.47) SMN1; SMN2NPSR1PPARAALOX5MAOA
SCHEMBL12585038 0.83 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1PPARAALOX5MAOA
SCHEMBL12584969 0.82 PDK1 (0.45) SMN1; SMN2NPSR1KMT2AMEN1MAPT
SCHEMBL5713090 0.82 PPARA (0.44) SMN1; SMN2NPSR1PPARAALOX5MAOA
SCHEMBL12585006 0.80 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1PPARAALOX5KMT2A
SCHEMBL7575462 0.79 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1PPARAALOX5MAOA
SCHEMBL2031059 0.78 MEN1 (0.41) SMN1; SMN2NPSR1PPARAKMT2AMEN1
SCHEMBL2031781 0.78 PPARA (0.47) SMN1; SMN2NPSR1PPARAKMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 — — US disclosed
US-7968567-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2011-06-28 — — US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 — — US disclosed
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY AMGEN INC. (US) 2010-05-06 — — US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 — — US disclosed
US-7626033-B2 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2009-12-01 — — 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-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD SMN1; SMN2 4250/4885NPSR1 3153/4885PPARA 2/4885

“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.

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