SCHEMBL172279

SCHEMBL172279

Nc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
RAB9A P51151 7/20 0.70
NPC1 O15118 6/20 0.70
MAPT P10636 6/20 0.70
LTA4H P09960 6/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
KDM4E B2RXH2 3/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
LMNA P02545 1/20 0.70
MKNK1 Q9BUB5 1/20 0.70
MKNK2 Q9HBH9 1/20 0.70
ALOX5 P09917 1/20 0.70
CYP3A4 P08684 1/20 0.64
POLB P06746 1/20 0.63
AR P10275 1/20 0.58
GFER P55789 1/20 0.58

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
Iodide SCHEMBL6175053 0.98 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL1771825 0.93 ALDH1A1 (0.79) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL23610361 0.91 ALDH1A1 (0.83) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL11152023 0.84 RAB9A (0.58) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL15829173 0.83 ALDH1A1 (0.66) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL430121 0.83 LTA4H (0.83) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL128793 0.83 ALDH1A1 (1.00) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL5321407 0.83 LTA4H (1.00) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL428793 0.83 RAB9A (0.96) ALDH1A1RAB9ANPC1MAPTLTA4H
SCHEMBL231094 0.83 LTA4H (0.80) ALDH1A1RAB9ANPC1MAPTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60197681-A None JP disclosed
EP-3528324-B1 COATED LITHIUM-NICKEL COMPOSITE OXIDE PARTICLES AND METHOD FOR PRODUCING COATED LITHIUM-NICKEL COMPOSITE OXIDE PARTICLES SUMITOMO METAL MINING CO (JP) 2021-11-17 EP disclosed
EP-3159956-B1 COVERED LITHIUM-NICKEL COMPOSITE OXIDE PARTICLES, AND METHOD FOR MANUFACTURING COVERED LITHIUM-NICKEL COMPOSITE OXIDE PARTICLES SUMITOMO METAL MINING CO (JP) 2021-11-03 EP disclosed
US-10898516-B2 Compositions and methods of treating diabetic retinopathy CASE WESTERN UNIVERSITY (US) 2021-01-26 US disclosed
CN-106463722-B Coated lithium-nickel composite oxide particle and method for producing coated lithium-nickel composite oxide particle 住友金属矿山株式会社 2020-10-02 CN disclosed
US-10749182-B2 Coated lithium-nickel composite oxide particles and method for producing coated lithium-nickel composite oxide particles SUMITOMO METAL MINING CO., LTD. (JP) 2020-08-18 US disclosed
CN-106663803-B Coated lithium-nickel composite oxide particle and method for producing coated lithium-nickel composite oxide particle 住友金属矿山株式会社 2020-05-22 CN disclosed
US-10568851-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2020-02-25 US disclosed
US-10553860-B2 Covered lithium-nickel composite oxide particles, and method for manufacturing covered lithium-nickel composite oxide particles SUMITOMO METAL MINING CO., LTD. (JP) 2020-02-04 US disclosed
US-10426773-B2 Systems pharmacology for treating ocular disorders CASE WESTERN UNIVERSITY (US) 2019-10-01 US disclosed
EP-0871619-B1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMA (US) 2002-11-06 EP disclosed
US-6458959-B1 VIRICIDES AND ENZYME INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-10-01 US disclosed
US-6348477-B1 SUBSTITUTED PHENYL THIAZOLE DERIVATIVES AS VIRICIDES BOEHRINGER INGELHEIM(CANADA) LTD. (CA) 2002-02-19 US disclosed
US-6288091-B1 COMPOUNDS SUCH AS 2,2,2-TRICHLOROETHYL N-(4-(2-AMINO-4-THIAZOLYL)-PHENYL)CARBAMATE THAT INHIBIT THE HERPES HELCASE-PRIMASE ENZYME COMPLEX BOEHRINGER INGELHEIM LTD. (CA) 2001-09-11 US disclosed
US-6057451-A AMINOTHIAZOLE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-05-02 US disclosed
US-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
CN-1207094-A Phenyl thiazole derivatives with anti herpes virus properties BOEHRINGER INGELHEIM PHARMA (US) 1999-02-03 CN disclosed
EP-0871619-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1998-10-21 EP disclosed
WO-1997024343-A1 PHENYL THIAZOLE DERIVATIVES WITH ANTI HERPES VIRUS PROPERTIES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
JP-S60197681-A PYRIDINE DERIVATIVE OR ITS SALT MITSUBISHI CHEM IND LTD 1985-10-07 JP 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-10426773-B2 Systems pharmacology for treating ocular disorders GRK1, MTNR1A, MTNR1B ALDH1A1 2397/4885RAB9A 458/4885NPC1 1451/4885
US-10568851-B2 Compounds and methods of treating ocular disorders ALDH1A2, TXNRD2, TXNRD1 ALDH1A1 607/4885RAB9A 554/4885NPC1 333/4885
US-10898516-B2 Compositions and methods of treating diabetic retinopathy GPR119, ARRB1, GRK1 ALDH1A1 647/4885RAB9A 1811/4885NPC1 1897/4885

“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.