SCHEMBL449122

SCHEMBL449122

[CH2]c1ccc(NC(N)=S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
TP53 P04637 1/20 0.60
TYR P14679 1/20 0.60
TSHR P16473 1/20 0.60
TAS2R38 P59533 1/20 0.60
HSD17B10 Q99714 1/20 0.60
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
HPGD P15428 1/20 0.59
ALOX12 P18054 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 3/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.55
KIF11 P52732 1/20 0.50
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL725810 0.87 ALDH1A1 (0.75) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1822006 0.78 ALDH1A1 (0.65) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL12071790 0.78 ALDH1A1 (0.62) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL728343 0.78 ALDH1A1 (0.62) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL1755655 0.77 ALDH1A1 (0.56) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL6680813 0.77 CA2 (0.56) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL348736 0.76 F2 (0.42) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL6938372 0.76 PEPD (0.64) ALDH1A1HSD17B10GAAKMT2AMAPT
SCHEMBL526059 0.76 MAPT (0.63) ALDH1A1TP53TYRTSHRTAS2R38
SCHEMBL11751583 0.76 ALDH1A1 (0.61) ALDH1A1TP53TYRTSHRTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117776870-A Synthesis method of 4-methyl-2, 3,5, 6-tetrafluorobenzyl alcohol 江苏优士化学有限公司 2024-03-29 CN claimed
US-20210062060-A1 COOLANT COMPOSITION AND COOLING SYSTEM TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2021-03-04 US claimed
CN-112430452-A Cooling liquid composition and cooling system 丰田自动车株式会社 2021-03-02 CN claimed
US-20160201093-A1 Process for the Bioconversion of C3-C13 Alkanes to C3-C13 Primary Alcohols BASF SE (DE) 2016-07-14 US claimed
US-20120065384-A1 FLUORESCENT MRI PROBE THE UNIVERSITY OF TOKYO (JP) 2012-03-15 US claimed
EP-0666787-A4 COMPOSITIONS AND METHODS FOR REPAIRING PLASTIC SURFACES. CLEARFIX CORP (US) 1995-08-30 EP claimed
EP-0666787-A1 COMPOSITIONS AND METHODS FOR REPAIRING PLASTIC SURFACES CLEARFIX CORPORATION (US) 1995-08-16 EP claimed
WO-1994008756-A1 COMPOSITIONS AND METHODS FOR REPAIRING PLASTIC SURFACES CLEARFIX CORPORATION (US) 1994-04-28 WO claimed
US-20250282922-A1 FOAMING CURABLE COMPOSITION SUNSTAR ENGINEERING INC. (JP) 2025-09-11 US disclosed
US-20250282923-A1 FOAMING CURABLE COMPOSITION SUNSTAR ENGINEERING INC. (JP) 2025-09-11 US disclosed
WO-2025096714-A1 COATED ARTICLES WITH A PLANARIZATION LAYER/HYDROXYL-MODIFIED LAYER AND A SURFACE-MODIFYING LAYER AND METHODS OF MAKING THE SAME CORNING INCORPORATED (US) 2025-05-08 WO disclosed
US-20250137113-A1 COATED ARTICLES WITH A PLANARIZATION LAYER/HYDROXYL-MODIFIED LAYER AND A SURFACE-MODIFYING LAYER AND METHODS OF MAKING THE SAME CORNING INCORPORATED 2025-05-01 US disclosed
CN-222151455-U Coking waste gas treatment device 山东钢铁股份有限公司 2024-12-13 CN disclosed
CN-119137199-A Foaming curable composition 盛势达技研株式会社 2024-12-13 CN disclosed
EP-0264169-A1 Process for producing ethylene-propylene copolymer rubber Tonen Corporation (JP) 1988-04-20 EP disclosed
US-4737481-A COORDINATION CATALYST CONTAINING MAGNESIUM DIALCOHOLATES, SILICON DI- OR TRI-HALIDES, TITANIUM HALIDES, ELECTRON DONORS TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1988-04-12 US disclosed
US-4700012-A USING ZEOLITE CATALYST AND PLATINUM TEIJIN PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-10-13 US disclosed
US-4693990-A Production of catalyst component for olefin polymerization TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1987-09-15 US disclosed
US-4678768-A POLYMERS OF HIGH STEREOREGULARITY AND BULK DENSITY TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1987-07-07 US disclosed
US-3939228-A Process for producing phosphazene compound ETHYL CORPORATION (US) 1976-02-17 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-20120065384-A1 FLUORESCENT MRI PROBE GLRA1, GLRA3, GDI1 ALDH1A1 3011/4885TP53 972/4885TYR 4288/4885

“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.