SCHEMBL314062

SCHEMBL314062

S=c1ncc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
HSP90AA1 P07900 1/20 0.45
IDO1 P14902 1/20 0.45
CDK2 P24941 1/20 0.45
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
PSMB8 P28062 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCB1 P08183 1/20 0.39
AOC3 Q16853 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 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
SCHEMBL31199151 1.00 ALDH1A1 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Pyrazine SCHEMBL28408989 0.92 ALDH1A1 (0.42) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Chlorobenzene SCHEMBL27916479 0.89 MAPT (0.41) ALDH1A1HSP90AA1IDO1CDK2KDM4E
Toluene SCHEMBL27916507 0.89 ALDH1A1 (0.40) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29494969 0.76 HSP90AA1 (0.46) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29906639 0.76 HSP90AA1 (0.46) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL10417 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL29371690 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL1568727 0.74 HSP90AA1 (0.45) ALDH1A1HSP90AA1IDO1CDK2KDM4E
SCHEMBL28015378 0.74 CA12 (0.48) ALDH1A1HSP90AA1IDO1CDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745273-A Method for catalyzing and activating carbon dioxide by using inorganic sulfur as carbonylation reagent 内蒙古工业大学 2023-09-12 CN claimed
CN-114644603-A Method for catalytically activating carbon dioxide as carbonylation reagent by using inorganic sulfur 内蒙古工业大学 2022-06-21 CN claimed
US-4954415-A Photoresists, photolithography THE MEAD CORPORATION (US) 1990-09-04 US claimed
EP-4197318-B1 PHOSPHODIESTERASES INHIBITORS TO PROMOTE IN VITRO PLANT CELL REPROGRAMMING TOWARDS PLANT EMBRYOGENESIS OR MICROCALLUS FORMATION UNIV FREIBURG ALBERT LUDWIGS (DE) 2025-11-19 EP disclosed
US-20250057097-A1 PHOSPHODIESTERASES INHIBITORS TO PROMOTE IN VITRO PLANT CELL REPROGRAMMING TOWARDS PLANT EMBRYOGENESIS OR MICROCALLUS FORMATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2025-02-20 US disclosed
CN-118272274-A Lactic acid bacteria starter and application thereof in preparation of blueberry corn peptide fermentation liquor 齐齐哈尔大学 2024-07-02 CN disclosed
US-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS The University of Pittsburgh- of the Commonwealth System of Higher Education 2023-11-09 US disclosed
CN-116745273-A Method for catalyzing and activating carbon dioxide by using inorganic sulfur as carbonylation reagent 内蒙古工业大学 2023-09-12 CN disclosed
WO-2023110673-A1 PHOSPHODIESTERASES INHIBITORS TO PROMOTE IN VITRO PLANT CELL REPROGRAMMING TOWARDS PLANT EMBRYOGENESIS OR MICROCALLUS FORMATION CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2023-06-22 WO disclosed
EP-4197318-A1 PHOSPHODIESTERASES INHIBITORS TO PROMOTE IN VITRO PLANT CELL REPROGRAMMING TOWARDS PLANT EMBRYOGENESIS OR MICROCALLUS FORMATION Albert-Ludwigs-Universität Freiburg (DE) 2023-06-21 EP disclosed
CN-114644603-A Method for catalytically activating carbon dioxide as carbonylation reagent by using inorganic sulfur 内蒙古工业大学 2022-06-21 CN disclosed
US-4093805-A ANTIDEPRESSANT AND ANTIANXIETY ACTIVITY THE DOW CHEMICAL COMPANY (US) 1978-06-06 US disclosed
US-4093805-A ANTIDEPRESSANT AND ANTIANXIETY ACTIVITY THE DOW CHEMICAL COMPANY (US) 1978-06-06 US disclosed
US-4086094-A HYDROPHILIC COLLOID LAYER FUJI PHOTO FILM CO., LTD. (JA) 1978-04-25 US disclosed
US-3997564-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-12-14 US disclosed
US-3997564-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-12-14 US disclosed
US-3981890-A ANTIINFLAMMATORY AGENTS SANDOZ, INC. (US) 1976-09-21 US disclosed
US-3883652-A Certain substituted-tricyclic quinazolin-thiones used as brochodilators SANDOZ AG 1975-05-13 US disclosed
US-3883652-A Certain substituted-tricyclic quinazolin-thiones used as brochodilators SANDOZ AG 1975-05-13 US disclosed
US-3856960-A METHOD OF INHIBITING INFLAMMATION USING 1,4-DISUBSTITUTED-METHYLENEDIOXY-2(1H)-QUINAZOLINONES AND QUINAZOLINTHIONES SANDOZ AG 1974-12-24 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-20230357261-A1 ARYL HYDROCARBON RECEPTOR LIGANDS AND THEIR ANALOGUES FOR THE PREVENTION AND TREATMENT OF INFLAMMATORY DISORDERS AHR, ARNT, MTNR1A ALDH1A1 752/4885HSP90AA1 841/4885IDO1 164/4885

“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.