SCHEMBL971004

SCHEMBL971004

Nc1cnccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 2/20 0.43
AOC3 Q16853 2/20 0.43
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ULK1 O75385 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
KIF11 P52732 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL30905972 1.00 AOC1 (0.43) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL1143409 0.82 GAA (0.46) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL30450375 0.82 GAA (0.46) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL20772453 0.78 KIF11 (0.41) GAAALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL31505115 0.77 AOC1 (0.43) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL7812435 0.77 AOC1 (0.43) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL16711070 0.77 ALDH1A1 (0.38) AOC1AOC3GAAALDH1A1KDM4E
Hydrochloric Acid SCHEMBL16702785 0.75 AOC1 (0.38) AOC1AOC3GAAALDH1A1KDM4E
SCHEMBL2145747 0.74 LOXL2 (0.43) GAAALDH1A1L3MBTL1POLBNPC1
SCHEMBL3379818 0.74 ALDH1A1 (0.42) AOC1AOC3GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119432148-A Perovskite ink, perovskite film and battery device 云南大学 2025-02-14 CN claimed
CN-113387881-B Synthesis method of 3-aminoisonicotinic acid methyl ester 安徽大学 2024-05-14 CN claimed
CN-113387881-A Synthetic method of 3-amino methyl isonicotinate 安徽大学 2021-09-14 CN claimed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119432148-A Perovskite ink, perovskite film and battery device 云南大学 2025-02-14 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
EP-4414365-A1 PYRIDAZINONES AND METHODS OF USE THEREOF Goldfinch Bio, Inc. (US) 2024-08-14 EP disclosed
WO-2024149389-A1 SUBSTITUTED BRIDGE RING INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2024-07-18 WO disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. LABORATOIRES FOURNIER S.A. (FR) 2007-03-08 US disclosed
US-7109339-B2 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
EP-1668021-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2006-06-14 EP disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US disclosed
WO-2006040281-A1 THIAZOLYL-DIHYDRO INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-04-20 WO disclosed
US-20050124625-A1 Piperazine derivatives and their use as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2005-06-09 US disclosed
WO-2005040136-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-06 WO disclosed
WO-2005030785-A2 NOVEL THIOXYLOSE COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USE THEREOF IN THERAPEUTICS LABORATOIRES FOURNIER S.A. (FR) 2005-04-07 WO disclosed
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 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 (7 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-20050124625-A1 Piperazine derivatives and their use as modulators of nuclear hormone receptor function NR5A2, NR4A2, GPER1 AOC1 4798/4885AOC3 4666/4885GAA 4785/4885
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AOC1 2804/4885AOC3 4150/4885GAA 180/4885
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 AOC1 3400/4885AOC3 2634/4885GAA 1575/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE AOC1 2804/4885AOC3 4150/4885GAA 180/4885
US-20040180875-A1 Substituted tricyclic gamma-carbolines as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR5A AOC1 4365/4885AOC3 2992/4885GAA 1474/4885
US-20070054955-A1 Novel thioxylose compounds, preparation method thereof, pharmaceutical compositions containing same and use thereof in therepeutics. NOTUM, STS, AGPS AOC1 802/4885AOC3 1572/4885GAA 683/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE AOC1 2804/4885AOC3 4150/4885GAA 180/4885

“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.