SCHEMBL76201

SCHEMBL76201

COc1ccc(N)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 4/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.50
KDM1A O60341 2/20 0.50
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TUBB1 Q9H4B7 3/20 0.48
NR4A1 P22736 1/20 0.48
KIT P10721 1/20 0.46
CYP19A1 P11511 2/20 0.46
KIF11 P52732 1/20 0.44

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
Hydrochloric Acid SCHEMBL27868120 0.98 MAPT (0.53) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL110676 0.82 MAPT (0.55) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL22069638 0.82 CYP19A1 (0.42) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL30059265 0.81 MEN1 (0.40) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL25968454 0.81 MEN1 (0.40) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL22069740 0.81 CYP19A1 (0.43) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL6572009 0.80 PTGS2 (0.50) ALDH1A1KDM1ARAB9ATSHRMEN1
Hydrochloric Acid SCHEMBL5745582 0.80 MAPT (0.53) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL29287691 0.79 KIT (0.52) ALDH1A1KDM4EUSP2MAPTLMNA
SCHEMBL22069591 0.79 CYP19A1 (0.44) ALDH1A1KDM4EUSP2MAPTLMNA

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 1334 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119161260-A Synthesis method of 1- (2-amino-4-fluoro-5-methoxyphenyl) -1-acetone 安徽大学 2024-12-20 CN claimed
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN claimed
CN-117126099-A 3-benzyloxy methyl indole-2-carboxylic acid derivative and preparation method and application thereof 贵州医科大学 2023-11-28 CN claimed
CN-116768921-A Heterocyclic amine metal catalyst, preparation method and application thereof 西安石油大学 2023-09-19 CN claimed
CN-112592318-A 2- (4-methionyl) anilino-4-aminopyrimidine derivatives and application thereof 贵州医科大学 2021-04-02 CN claimed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US claimed
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2018-12-20 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-3217982-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2017-09-20 EP claimed
US-9714254-B2 Anilino podophyllin derivative having antitumor activity, method for preparation thereof, and use thereof HUBEI UNIVERSITY OF TECHNOLOGY (CN) 2017-07-25 US claimed
US-6743817-B2 AGONISTS, ANTAGONISTS OR INVERSE AGONISTS FOR BRAIN RECEPTORS; ANXIOLYTICS, ANTIDEPRESSANTS, TREATING SLEEP AND PSYCHOLOGICAL DISORDERS NEUROGEN CORPORATION 2004-06-01 US claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-6673811-B1 TREATMENT OF ANXIETY, DEPRESSION, SLEEP DISORDER, ATTENTION DEFICIT DISORDER, ALZHEIMER'S DEMENTIA, OR SHORT-TERM MEMORY LOSS NEUROGEN CORPORATION 2004-01-06 US claimed
EP-1326831-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2003-07-16 EP claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2003044018-A1 1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLIC ACID AMIDES NEUROGEN CORPORATION (US) 2003-05-30 WO claimed
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes NEUROGEN CORPORATION 2002-09-12 US claimed
WO-2002020480-A1 SUBSTITUTED FUSED PYRROLEIMINES AND PYRAZOLEIMINES NEUROGEN CORPORATION (US) 2002-03-14 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 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 (4 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-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor GABRB1, GABRP, GABRA1 ALDH1A1 1197/4885KDM4E 2087/4885USP2 4303/4885
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ALDH1A1 2889/4885KDM4E 3781/4885USP2 4257/4885
US-20020128236-A1 Substituted fused pyrroleoximes and fused pyrazoleoximes HTR1A, GABRA1, GABRE ALDH1A1 1030/4885KDM4E 876/4885USP2 2527/4885
US-20180362475-A1 SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH AIFM2, BAD, AIFM1 ALDH1A1 2889/4885KDM4E 3781/4885USP2 4257/4885

“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.