Sugi Predict

Sugi Predict / Compounds / SCHEMBL1637546

SCHEMBL1637546

SCHEMBL1637546

Nc1sc2c(c1C(=O)c1ccccc1)CCCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ MAPT P10636 7/20 1.00
▸ HPGD P15428 4/20 1.00
▸ LMNA P02545 1/20 1.00
▸ GAA P10253 1/20 1.00
▸ TDP1 Q9NUW8 1/20 0.74
▸ ADORA1 P30542 1/20 0.68
▸ KDM4E B2RXH2 4/20 0.61
▸ HSD17B10 Q99714 3/20 0.61
▸ USP2 O75604 1/20 0.61
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ ALOX15 P16050 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ TAAR1 Q96RJ0 2/20 0.59
▸ RECQL P46063 1/20 0.57
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ FLT3 P36888 1/20 0.56
▸ TSHR P16473 1/20 0.54

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
SCHEMBL5851585 0.98 ALDH1A1 (0.97) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL136108 0.97 MAPT (0.94) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL5850967 0.91 ALDH1A1 (0.84) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3656064 0.89 ALDH1A1 (0.81) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3768107 0.85 TDP1 (0.74) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL138711 0.85 TDP1 (0.74) ALDH1A1MAPTHPGDLMNAGAA
T-62 SCHEMBL135569 0.85 TDP1 (1.00) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL3768395 0.85 TDP1 (0.74) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL136844 0.85 TDP1 (0.74) ALDH1A1MAPTHPGDLMNAGAA
SCHEMBL4153860 0.84 TDP1 (0.97) ALDH1A1MAPTHPGDLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 — — EP claimed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 — — US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 — — US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 — — US disclosed
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS UNIVERSITEIT LEIDEN 2010-12-16 — — US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 — — WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 — — US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 — — US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 — — US disclosed
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 — — EP disclosed
EP-1671973-A2 Allosteric adenosine receptor modulators King Pharmaceuticals Research and Development, Inc. (US) 2006-06-21 — — EP disclosed
EP-1025106-B1 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS KING PHARMACEUTICALS RES & DEV (US) 2006-06-21 — — EP disclosed
US-6713638-B2 TREATING ISCHEMIC DISEASE, CARDIAC ARRHYTHMIAS, CHRONIC PAIN, INDUCING SLEEP IN A MAMMAL NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-30 — — US disclosed
US-6323214-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS AND ANALGESICS MEDCO RESEARCH, INC 2001-11-27 — — US disclosed
US-6194449-B1 ADMINISTERING A BENZOYLTHIOPHENE COMPOUND; ANTIHYPOXIC, ANTIISCHEMIC AGENTS MEDCO CORP. 2001-02-27 — — US disclosed
US-6177444-B1 ANTIISCHEMIC AGENTS; ANTIARRHYTHMIA AGENTS MEDCO CORP. 2001-01-23 — — US disclosed
EP-1025106-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS Medco Research, Inc. (US) 2000-08-09 — — EP disclosed
US-5939432-A Thiophenes useful for modulating the adenosine receptor MEDCO RESEARCH, INC. (US) 1999-08-17 — — US disclosed
WO-1999021617-A2 ALLOSTERIC ADENOSINE RECEPTOR MODULATORS MEDCO RESEARCH, INC. (US) 1999-05-06 — — WO disclosed
US-3957783-A URICOSURIC ACTIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-18 — — US 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 (3 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT ALDH1A1 677/4885MAPT 3189/4885HPGD 42/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT ALDH1A1 677/4885MAPT 3189/4885HPGD 42/4885
US-20100317709-A1 SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR COMPOUNDS S1PR3, S1PR1, S1PR5 ALDH1A1 4570/4885MAPT 4166/4885HPGD 3221/4885

“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.