Sugi Predict

Sugi Predict / Compounds / SCHEMBL1996524

SCHEMBL1996524

SCHEMBL1996524

O=C(O)Cc1cc(Cl)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CCR2 P41597 1/20 0.38

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
SCHEMBL2686098 1.00 CYP1A2 (0.45) CYP1A2ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL1997562 0.82 HSP90AB1 (0.49) ALDH1A1TDP1SMN1; SMN2MAPTMEN1
SCHEMBL3912806 0.80 ALDH1A1 (0.46) CYP1A2ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL7083788 0.79 NPC1 (0.48) CYP1A2ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL4210969 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL31459087 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL29261800 0.79 TP53 (0.50) CYP1A2ALDH1A1TDP1SMN1; SMN2MAPT
SCHEMBL868125 0.79 CA2 (0.50) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL21273844 0.79 CA2 (0.50) ALDH1A1TDP1MAPTKDM4ELMNA
SCHEMBL29796201 0.78 TSHR (0.56) CYP1A2ALDH1A1TDP1SMN1; SMN2MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-8785468-B2 Phenylalanine amide derivatives useful for treating insulin-related diseases and conditions AMGEN INC. (US) 2014-07-22 — — US disclosed
US-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2012-05-10 — — 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-7960408-B2 Quinolinyl and benzothiazolyl modulators AMGEN INC. (US) 2011-06-14 — — US disclosed
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 — — WO 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
EP-1296967-B1 BENZOTHIAZOLYL PPAR-GAMMA MODULATORS AMGEN INC (US) 2006-05-31 — — EP disclosed
CN-1243741-C Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2006-03-01 — — CN 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
CN-1438998-A Quinolinyl and benzothiazolyl PPAR-gamma modulators TULARIK INC (US) 2003-08-27 — — CN 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 (5 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-20120115811-A1 PHENYLANALINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS IAPP, INSR, AMY2A CYP1A2 83/4885ALDH1A1 2340/4885TDP1 3056/4885
US-20040176409-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD CYP1A2 1193/4885ALDH1A1 3157/4885TDP1 3156/4885
US-20030171399-A1 Quinolinyl and benzothiazolyl modulators PPARA, PPARG, PPARD CYP1A2 1193/4885ALDH1A1 3157/4885TDP1 3156/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD CYP1A2 1193/4885ALDH1A1 3157/4885TDP1 3156/4885
US-20090221635-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARG, PPARA, PPARD CYP1A2 1324/4885ALDH1A1 3192/4885TDP1 3522/4885

“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.