SCHEMBL17708698

SCHEMBL17708698

CCCCCc1cccnc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ALOX5 P09917 1/20 0.40
PTGS2 P35354 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRM5 P41594 1/20 0.39
BID P55957 3/20 0.38
MCL1 Q07820 3/20 0.38
BCL2L1 Q07817 2/20 0.38
BAK1 Q16611 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PPARA Q07869 2/20 0.38
TLR8 Q9NR97 1/20 0.38
PPARG P37231 1/20 0.38
EP300 Q09472 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
KAT5 Q92993 1/20 0.38
SAE1 Q9UBE0 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
SCHEMBL27302612 0.98 LIPG (0.47) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL27613235 0.98 LIPG (0.47) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL27474780 0.98 LIPG (0.47) TDP1L3MBTL1LIPGALOX5PTGS2
Bromide SCHEMBL28986872 0.96 LIPG (0.46) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL22597437 0.94 GRM5 (0.40) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL461554 0.91 TDP1 (0.50) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL23768448 0.89 TDP1 (0.49) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL1425613 0.89 TDP1 (0.49) TDP1L3MBTL1LIPGALOX5PTGS2
Hydrogen Sulfide SCHEMBL28566437 0.89 TDP1 (0.49) TDP1L3MBTL1LIPGALOX5PTGS2
SCHEMBL29031761 0.89 TDP1 (0.49) TDP1L3MBTL1LIPGALOX5PTGS2

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503465-B2 Process for preparing [3-chloro-2-[3-[2-[1-(2-chloroacetyl)-4-piperidyl]thiazol-4-yl]-4,5-dihydroisoxazol-5-yl]phenyl] methanesulfonate BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 US disclosed
EP-4077321-B1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE BAYER AG (DE) 2025-06-25 EP disclosed
CN-114829360-B Process for preparing Fluoxapiprolin intermediates 拜耳公司 2025-03-07 CN disclosed
WO-2024252982-A1 FRAGRANCE COMPOSITION 高砂香料工業株式会社 2024-12-12 WO disclosed
US-20230031599-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE BAYER AKTIENGESELLSCHAFT (DE) 2023-02-02 US disclosed
EP-4077321-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE Bayer Aktiengesellschaft (DE) 2022-10-26 EP disclosed
CN-114829360-A Process for the preparation of [ 3-chloro-2- [3- [2- [1- (2-chloroacetyl) -4-piperidinyl ] thiazol-4-yl ] -4, 5-dihydroisoxazol-5-yl ] phenyl ] methanesulfonate 拜耳公司 2022-07-29 CN disclosed
WO-2021122752-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE BAYER AKTIENGESELLSCHAFT (DE) 2021-06-24 WO disclosed
US-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2020-10-22 US disclosed
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2020-09-01 US disclosed
US-9951014-B2 Mammalian and bacterial nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2018-04-24 US disclosed
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY (US) 2017-09-28 US disclosed
EP-3215497-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS Northwestern University (US) 2017-09-13 EP disclosed
WO-2016073623-A2 MAMMALIAN AND BACTERIAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2016-05-12 WO disclosed
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-05-05 US disclosed
CN-103313977-B 1- (heterocyclic carbonyl) piperidines BAYER IP GMBH 2015-06-03 CN disclosed
CN-103313977-A 1- (heterocyclic carbonyl) piperidines BAYER IP GMBH 2013-09-18 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-20200331910-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 TDP1 871/4885L3MBTL1 4498/4885LIPG 105/4885
US-12503465-B2 Process for preparing [3-chloro-2-[3-[2-[1-(2-chloroacetyl)-4-piperidyl]thiazol-4-yl]-4,5-dihydroisoxazol-5-yl]phenyl] methanesulfonate CTPS2, DCPS, DHPS TDP1 3863/4885L3MBTL1 3767/4885LIPG 4733/4885
US-20230031599-A1 PROCESS FOR PREPARING [3-CHLORO-2-[3-[2-[1-(2-CHLOROACETYL)-4-PIPERIDYL]THIAZOL-4-YL]-4,5-DIHYDROISOXAZOL-5-YL]PHENYL] METHANESULFONATE CTPS2, DCPS, DHPS TDP1 3863/4885L3MBTL1 3767/4885LIPG 4733/4885
US-20160122302-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 TDP1 698/4885L3MBTL1 2265/4885LIPG 427/4885
US-20170275278-A1 Mammalian and Bacterial Nitric Oxide Synthase Inhibitors NOS1, NOS2, NOS3 TDP1 871/4885L3MBTL1 4498/4885LIPG 105/4885
US-10759791-B2 Mammalian and bacterial nitric oxide synthase inhibitors NOS1, NOS2, NOS3 TDP1 871/4885L3MBTL1 4498/4885LIPG 105/4885

“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.