SCHEMBL2410452

SCHEMBL2410452

N=C(NO)c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
GAA P10253 1/20 0.61
CNR2 P34972 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
PTGS1 P23219 1/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KAT6A Q92794 1/20 0.38
PPIA P62937 1/20 0.38

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
SCHEMBL31552799 0.79 KCNK3 (0.50) LMNAGAASMN1; SMN2PTGS1KCNK3
SCHEMBL23062970 0.76 KMT2A (0.38) LMNAGAA
SCHEMBL2471095 0.76 NPC1 (0.51) LMNAGAASMN1; SMN2ALDH1A1POLB
SCHEMBL29712527 0.75 LMNA (0.50) LMNAGAACNR2CTNNB1WNT3A
SCHEMBL958496 0.75 LMNA (0.50) LMNAGAACNR2CTNNB1WNT3A
SCHEMBL6145627 0.75 LMNA (0.50) LMNAGAACNR2SMN1; SMN2CTNNB1
SCHEMBL2562121 0.74 SMN1; SMN2 (0.39) LMNAGAASMN1; SMN2KCNK3KCNK9
SCHEMBL6453994 0.74 CNR2 (0.39) LMNAGAACNR2CTNNB1WNT3A
SCHEMBL9830646 0.73 GAA (0.75) LMNAGAASMN1; SMN2PTGS1KCNK3
Hydrochloric Acid SCHEMBL3065338 0.73 LMNA (0.48) LMNAGAACNR2CTNNB1WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317112-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER AG (DE) 2021-10-14 US disclosed
EP-3788043-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme Corp. (US) 2021-03-10 EP disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
EP-2906553-B1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI (HETERO )ARYL]-[2-(META BI (HETERO)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-26 EP disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-23 US disclosed
EP-3215505-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma Aktiengesellschaft (DE) 2017-09-13 EP disclosed
US-9687476-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-27 US disclosed
EP-2539326-B1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER IP GMBH (DE) 2017-05-03 EP disclosed
US-9493446-B2 Orexin receptor antagonists which are [ortho bi-(hetero-)aryl]-[2-(meta bi-(hetero-)aryl)-pyrrolidin-1-yl]-methanone derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-15 US disclosed
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-25 US disclosed
US-9187466-B2 Bisaryl-bonded aryltriazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-17 US disclosed
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2015-09-10 US disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
EP-2539326-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-01-02 EP disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
WO-2011104322-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-01 WO disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 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 LMNA 986/4885GAA 2118/4885CNR2 1058/4885
US-20130190330-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LMNA 612/4885GAA 722/4885CNR2 3149/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 LMNA 2585/4885GAA 4335/4885CNR2 2155/4885
US-20160051518-A1 BISARYL-BONDED ARYLTRIAZOLONES AND USE THEREOF NAT1, AADAC, TNNI3 LMNA 612/4885GAA 722/4885CNR2 3149/4885
US-20150252032-A1 OREXIN RECEPTOR ANTAGONISTS WHICH ARE [ORTHO BI-(HETERO-)ARYL]-[2-(META BI-(HETERO-)ARYL)-PYRROLIDIN-1-YL]-METHANONE DERIVATIVES HCRTR2, HCRTR1, OXTR LMNA 3489/4885GAA 3817/4885CNR2 24/4885
US-20170334917-A1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE HAMP, SERPINC1, PRSS8 LMNA 2585/4885GAA 4335/4885CNR2 2155/4885

“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.