SCHEMBL1996539

SCHEMBL1996539

Cc1ccc2nc(Cc3c(Cl)cc([N+](=O)[O-])cc3Cl)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
HTT P42858 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 8/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
ALDH1A1 P00352 5/20 0.44
RORC P51449 1/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
RECQL P46063 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDK1 Q15118 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MITF O75030 1/20 0.40
NFKB1 P19838 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
SCHEMBL2001086 0.91 RIPK1 (0.39) PTPN1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL1996551 0.88 FSCN1 (0.48) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1999251 0.84 MAPT (0.49) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1999633 0.81 MAPT (0.51) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL2001919 0.81 LOXL2 (0.51) SMN1; SMN2ALDH1A1NPSR1RIPK1
SCHEMBL1999033 0.78 AKR1B1 (0.39) HTTSMN1; SMN2MAPTKMT2AMEN1
SCHEMBL1999757 0.77 RIPK1 (0.42) PTPN1HTTSMN1; SMN2MAPTKMT2A
SCHEMBL2008073 0.76 AKR1B1 (0.45) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL11330644 0.76 RAB9A (0.59) PTPN1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL27522825 0.72 RAB9A (0.49) HTTSMN1; SMN2MAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
US-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 US disclosed
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 US disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC 2004-09-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
US-6583157-B2 Peroxisome proliferator-activated receptors antagonists; antiinflammatory agents and treating metabolic disorders TULARIK INC. 2003-06-24 US disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO 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 (4 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-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PTPN1 1398/4885HTT 278/4885SMN1; SMN2 4885/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PTPN1 1398/4885HTT 278/4885SMN1; SMN2 4885/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PTPN1 1398/4885HTT 278/4885SMN1; SMN2 4885/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PTPN1 1528/4885HTT 256/4885SMN1; SMN2 4885/4885

“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.