SCHEMBL9018567

SCHEMBL9018567

c1ccc(-c2nnc(-c3ccccc3)s2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
POLB P06746 1/20 0.61
HSD17B1 P14061 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA4 P22748 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
MAPK1 P28482 1/20 0.48
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
PDPK1 O15530 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL2213286 0.97 ALDH1A1 (0.59) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL17948201 0.95 ALDH1A1 (0.57) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL17153781 0.90 HSD17B1 (0.63) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL10024816 0.86 GAA (0.62) ALDH1A1POLBHSD17B1NPC1RAB9A
SCHEMBL28710171 0.86 ALDH1A1 (0.58) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL711541 0.86 ALDH1A1 (0.50) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL10000273 0.86 ALDH1A1 (0.62) ALDH1A1POLBCA1CA2CA4
SCHEMBL928937 0.85 ALDH1A1 (0.53) ALDH1A1POLBHSD17B1CA1CA2
SCHEMBL9343228 0.84 ALDH1A1 (0.53) ALDH1A1POLBCA1CA2CA4
SCHEMBL818881 0.83 ALDH1A1 (0.52) ALDH1A1POLBHSD17B1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995620-B Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2023-06-06 CN disclosed
CN-111995620-A Preparation method of 1,3, 4-thiadiazole compound and compound prepared by same 重庆医科大学 2020-11-27 CN disclosed
CN-108947927-B Alcohol/water-soluble organic small molecule cathode interface material with side chain containing aromatic heterocycle with high electron mobility 四川大学 2020-05-26 CN disclosed
EP-3230404-B1 AMBIPOLAR HOST MATERIALS AND THEIR USE CYNORA GMBH (DE) 2020-02-05 EP disclosed
CN-108947927-A A kind of alcohol of side chain heteroaromatic containing high electron mobility/water solubility small organic molecule cathode interface material 四川大学 2018-12-07 CN disclosed
US-9972795-B2 Organic light-emitting diode materials PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-15 US disclosed
US-20170271601-A1 Organic Light-Emitting Diode Materials UNITED STATES DEPARTMENT OF ENERGY 2017-09-21 US disclosed
US-9692000-B2 Organic electroluminescent element, display device and illuminating device Konica Minolta, Inc. (JP) 2017-06-27 US disclosed
US-9634275-B2 Organic electroluminescent element, display device and illuminating device Konica Minolta, Inc. (JP) 2017-04-25 US disclosed
US-9634275-B2 Organic electroluminescent element, display device and illuminating device Konica Minolta, Inc. (JP) 2017-04-25 US disclosed
US-20070052051-A1 Photoelectric conversion layer, photoelectric conversion device and imaging device, and method for applying electric field thereto FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
US-20070052051-A1 Photoelectric conversion layer, photoelectric conversion device and imaging device, and method for applying electric field thereto FUJI PHOTO FILM CO., LTD. 2007-03-08 US disclosed
US-20070044829-A1 Photoelectric conversion layer, photoelectric conversion device and imaging device, and method for applying electric field thereto FUJI PHOTO FILM CO., LTD. 2007-03-01 US disclosed
US-20070044829-A1 Photoelectric conversion layer, photoelectric conversion device and imaging device, and method for applying electric field thereto FUJI PHOTO FILM CO., LTD. 2007-03-01 US disclosed
US-7179544-B2 Organic electroluminescent element FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
US-7179544-B2 Organic electroluminescent element FUJI PHOTO FILM CO., LTD. (JP) 2007-02-20 US disclosed
US-5558904-A Electroluminescent devices containing a conjugated polymer obtained via halogen precursor route chemistry XEROX CORPORATION (US) 1996-09-24 US disclosed
US-5387657-A Liquid crystal polymers; high glass transition temperatures; enhanced unidirectional mechanical properties; coatings, castings, encapsulation, lamination, composites, molding materials THE DOW CHEMICAL COMPANY (US) 1995-02-07 US disclosed
WO-1994025501-A1 EPOXY RESINS CONTAINING THIADIAZOLE AND/OR OXADIAZOLE MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-5290887-A Liquid crystal polymers for coatings, castings, encapsulation, electronics or laminates THE DOW CHEMICAL COMPANY (US) 1994-03-01 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 (1 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-20170271601-A1 Organic Light-Emitting Diode Materials SELE, DRD4, DRD1 ALDH1A1 69/4885POLB 1080/4885HSD17B1 3421/4885

“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.