SCHEMBL12422157

SCHEMBL12422157

Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3C)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ILK Q13418 1/20 0.54
NPBWR1 P48145 1/20 0.53
PTPN1 P18031 1/20 0.53
RORC P51449 1/20 0.53
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDK1 Q15118 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL12422162 0.86 MMP13 (0.63) HTTSMN1; SMN2ILKALDH1A1CYP3A4
SCHEMBL10311768 0.83 RORC (0.71) HTTSMN1; SMN2PTPN1RORCALDH1A1
SCHEMBL2628245 0.81 RORC (0.68) HTTSMN1; SMN2PTPN1RORCALDH1A1
SCHEMBL12408910 0.79 MAPT (0.59) SMN1; SMN2RORCALDH1A1NPC1RAB9A
SCHEMBL12422169 0.77 MAPT (0.67) SMN1; SMN2ILKALDH1A1TDP1NPC1
SCHEMBL1983034 0.77 RORC (0.63) HTTSMN1; SMN2PTPN1RORCALDH1A1
SCHEMBL1983033 0.77 RORC (0.63) HTTSMN1; SMN2PTPN1RORCALDH1A1
SCHEMBL12422008 0.76 MAPT (0.59) SMN1; SMN2RORCALDH1A1NPC1RAB9A
SCHEMBL31591973 0.76 RORC (0.59) HTTSMN1; SMN2ILKPTPN1RORC
SCHEMBL3201047 0.75 APP (0.52) HTTSMN1; SMN2ILKNPBWR1ALDH1A1

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-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 HTT 8/4885SMN1; SMN2 1022/4885ILK 1881/4885

“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.