SCHEMBL1998748

SCHEMBL1998748

O=[N+]([O-])c1cc(Cl)c(Cc2cc3ccccc3cn2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CYP1A2 P05177 2/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PDE7A Q13946 2/20 0.38
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
PIN1 Q13526 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL1999096 0.79 PDPK1 (0.44) ALDH1A1CYP1A2HSD17B10KMT2AMEN1
SCHEMBL2001482 0.78 RAB9A (0.44) ALDH1A1CYP1A2HSD17B10KMT2AMEN1
SCHEMBL2000421 0.76 ALDH1A1 (0.57) ALDH1A1CYP1A2KMT2AMEN1MAPT
SCHEMBL7480367 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2HSD17B10KMT2AMEN1
SCHEMBL3119753 0.70 PDE10A (0.48) CYP1A2KMT2AATML3MBTL1PDE10A
SCHEMBL1999251 0.68 MAPT (0.49) ALDH1A1KMT2AMEN1MAPTRAB9A
SCHEMBL3799780 0.68 ALDH1A1 (0.47) ALDH1A1CYP1A2KMT2AMEN1MAPT
SCHEMBL3129580 0.68 SLC6A2 (0.44) ALDH1A1TDP1TSHRATML3MBTL1
SCHEMBL7840421 0.67 CYP1A2 (0.51) ALDH1A1CYP1A2HSD17B10KMT2AMEN1
SCHEMBL17664092 0.67 HSP90AB1 (0.47) CYP1A2MAPTSMN1; SMN2LMNAATM

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 16 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-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 US disclosed
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-7601841-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2009-10-13 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
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. (US) 2009-09-03 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 ALDH1A1 3157/4885CYP1A2 1193/4885HSD17B10 556/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD ALDH1A1 3157/4885CYP1A2 1193/4885HSD17B10 556/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD ALDH1A1 3157/4885CYP1A2 1193/4885HSD17B10 556/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD ALDH1A1 3192/4885CYP1A2 1324/4885HSD17B10 528/4885

“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.