SCHEMBL458499

SCHEMBL458499

S=C=Nc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 2/20 0.52
ABCB11 O95342 1/20 0.52
NR3C1 P04150 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ALOX15 P16050 1/20 0.52
ADRA2C P18825 1/20 0.52
MAOA P21397 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
CCR2 P41597 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50

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
SCHEMBL29401009 1.00 ALDH1A1 (0.52) ALDH1A1TDP1HPGDABCB11NR3C1
Acetonitrile SCHEMBL27878183 0.90 ALDH1A1 (0.44) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL8592479 0.88 ALDH1A1 (0.43) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL15989929 0.83 ALDH1A1 (0.46) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL895789 0.82 ALDH1A1 (0.48) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL29668094 0.82 ALDH1A1 (0.48) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL207554 0.82 ALDH1A1 (0.62) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL29374052 0.82 ALDH1A1 (0.62) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL17289579 0.80 ALDH1A1 (0.47) ALDH1A1TDP1HPGDABCB11NR3C1
SCHEMBL444165 0.80 HTR3E (0.54) ALDH1A1TDP1HPGDCYP1A2HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12402638-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-09-02 US claimed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
US-12232516-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-02-25 US claimed
US-12193465-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-01-14 US claimed
US-20230380457-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-30 US claimed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
US-20230363426-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-16 US claimed
CN-116987036-A Synthesis method of base-promoted 4-cyanoimidazole derivative 曲阜师范大学 2023-11-03 CN claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN claimed
CN-105267967-A Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2016-01-27 CN claimed
CN-104415332-A Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2015-03-18 CN claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
CN-103992265-A Double tribromo 1,3-bipyridine onium salt dimethylmethane, and preparation method, application method, recovery method and application thereof UNIV XI AN JIAOTONG 2014-08-20 CN claimed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
CN-101356165-A Process for preparing gemcitabine and related intermediates CHEMAGIS LTD (IL) 2009-01-28 CN claimed
US-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-10-25 US claimed
WO-2007070804-A2 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES CHEMAGIS LTD. (IL) 2007-06-21 WO claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US claimed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO claimed

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-20070249823-A1 PROCESS FOR PREPARING GEMCITABINE AND ASSOCIATED INTERMEDIATES DPYD, PARP1, PARP2 ALDH1A1 597/4885TDP1 311/4885HPGD 555/4885

“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.