SCHEMBL1997399

SCHEMBL1997399

Nc1cc(Cl)c(Cc2nc3cccc(Cl)c3s2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.43
AKR1B1 P15121 1/20 0.40
HSP90AA1 P07900 9/20 0.35
HSP90AB1 P08238 9/20 0.35
ALOX5 P09917 1/20 0.34
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CXCR6 O00574 1/20 0.32
PRMT5 O14744 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL2000826 0.81 UBE2T (0.53) AKR1B1ALOX5LMNASMN1; SMN2
SCHEMBL1999033 0.80 AKR1B1 (0.39) PSMB8AKR1B1ALOX5SMN1; SMN2
SCHEMBL27562337 0.78 CYP3A4 (0.50) PSMB8AKR1B1HSP90AA1HSP90AB1ALOX5
SCHEMBL1999633 0.75 MAPT (0.51) AKR1B1LMNASMN1; SMN2
SCHEMBL13119773 0.75 PSMB8 (0.53) PSMB8AKR1B1HSP90AA1HSP90AB1ALOX5
SCHEMBL2000214 0.74 LOXL2 (0.61) AKR1B1ALOX5SMN1; SMN2
SCHEMBL2001974 0.74 APP (0.48) AKR1B1LMNACDK5CDK5R1SMN1; SMN2
SCHEMBL13824618 0.73 PSMB8 (0.51) PSMB8AKR1B1HSP90AA1HSP90AB1ALOX5
SCHEMBL31389507 0.73 PSMB8 (0.51) PSMB8AKR1B1HSP90AA1HSP90AB1ALOX5
SCHEMBL28124660 0.73 PSMB8 (0.51) PSMB8AKR1B1HSP90AA1HSP90AB1ALOX5

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 PSMB8 3718/4885AKR1B1 2202/4885HSP90AA1 553/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD PSMB8 3718/4885AKR1B1 2202/4885HSP90AA1 553/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD PSMB8 3718/4885AKR1B1 2202/4885HSP90AA1 553/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD PSMB8 3526/4885AKR1B1 2314/4885HSP90AA1 473/4885

“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.