SCHEMBL1996987

SCHEMBL1996987

Cc1ccc2sc(Cc3ccc(N)cc3Cl)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.43
AKR1B1 P15121 3/20 0.40
AKR1A1 P14550 2/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
NFKB1 P19838 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
HTT P42858 2/20 0.37
APP P05067 1/20 0.37

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
SCHEMBL2002329 0.87 LOXL2 (0.58) MAPTSMN1; SMN2LOXL2AKR1B1AKR1A1
SCHEMBL2003088 0.84 MAPT (0.48) MAPTSMN1; SMN2TP53LOXL2AKR1B1
SCHEMBL1999968 0.83 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1RAB9AKDM4E
SCHEMBL2001996 0.81 AKR1B1 (0.52) LOXL2AKR1B1AKR1A1ALDH1A1DYRK1A
SCHEMBL1999757 0.80 RIPK1 (0.42) MAPTSMN1; SMN2AKR1B1AKR1A1ALDH1A1
SCHEMBL27522873 0.77 CYP3A4 (0.47) MAPTSMN1; SMN2TP53LOXL2AKR1B1
SCHEMBL1999633 0.74 MAPT (0.51) MAPTSMN1; SMN2TP53AKR1B1ALDH1A1
SCHEMBL3268365 0.73 SMN1; SMN2 (0.47) MAPTSMN1; SMN2TP53LOXL2AKR1B1
SCHEMBL15724733 0.73 MAPT (0.47) MAPTSMN1; SMN2TP53LOXL2AKR1B1
SCHEMBL3355671 0.73 LOXL2 (0.65) MAPTSMN1; SMN2TP53LOXL2AKR1B1

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 27 patents — showing the first 20. 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-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 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-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-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators TULARIK INC. 2003-09-11 US disclosed
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 CN disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 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
CN-1368961-A Compounds that modulate PPAR γ activity TULARIK INC (US) 2002-09-11 CN disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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 (6 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-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD MAPT 708/4885SMN1; SMN2 4643/4885TP53 86/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD MAPT 4694/4885SMN1; SMN2 4237/4885TP53 1968/4885
US-20100113522-A1 COMPOUNDS FOR THE MODULATION OF PPARgamma ACTIVITY PPARG, PPARA, PPARD MAPT 4679/4885SMN1; SMN2 4250/4885TP53 1877/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD MAPT 3145/4885SMN1; SMN2 4885/4885TP53 990/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD MAPT 3145/4885SMN1; SMN2 4885/4885TP53 990/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD MAPT 3019/4885SMN1; SMN2 4885/4885TP53 877/4885

“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.