SCHEMBL642844

SCHEMBL642844

N=C(NO)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40
KAT6A Q92794 3/20 0.40
RAB9A P51151 3/20 0.40
HDAC3 O15379 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
SCHEMBL641272 0.83 CES2 (0.52) CES2CES1GAAALDH1A1ALOX15
SCHEMBL2949852 0.80 CES2 (0.46) CES2CES1GAAALDH1A1ALOX15
SCHEMBL17063948 0.79 ESR1 (0.41) CES2CES1GAAALDH1A1NPC1
Hydrochloric Acid SCHEMBL4399667 0.78 CES2 (0.45) CES2CES1GAAALDH1A1ALOX15
SCHEMBL28582169 0.77 NPC1 (0.54) CES2CES1GAAALDH1A1ALOX15
SCHEMBL1753018 0.75 MEN1 (0.51) GAAALDH1A1MEN1KMT2ATDP1
SCHEMBL17063900 0.75 NPC1 (0.41) GAAALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL642257 0.74 CES2 (0.46) CES2CES1GAAMEN1KMT2A
SCHEMBL17063882 0.74 KDM4E (0.56) GAAALDH1A1ALOX15MEN1KMT2A
SCHEMBL27978394 0.74 ALDH1A1 (0.42) GAAALDH1A1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 CN disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 CN disclosed
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 US disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
WO-2009068214-A2 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-04 WO disclosed
CN-101151032-A Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO LTD (JP) 2008-03-26 CN disclosed
CN-101096368-A Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMA INC (SE) 2008-01-02 CN disclosed
EP-1815206-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-08-08 EP disclosed
CN-101006083-A Dpp-iv inhibitor SANTHERA PHARMACEUTICALS CH (CH) 2007-07-25 CN disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
CN-1984907-A Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-06-20 CN disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 US disclosed
WO-2006044456-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 WO disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN 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 (6 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-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES DDT, ACHE, PTMS CES2 475/4885CES1 854/4885GAA 2118/4885
US-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885GAA 67/4885
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 CES2 3445/4885CES1 3297/4885GAA 1421/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 CES2 3445/4885CES1 3297/4885GAA 1421/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 CES2 124/4885CES1 1485/4885GAA 67/4885
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 CES2 38/4885CES1 5/4885GAA 1311/4885

“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.