SCHEMBL3496090

SCHEMBL3496090

Cn1c(C(=O)O)cnc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
GPR35 Q9HC97 2/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
HSD17B10 Q99714 6/20 0.33
GFER P55789 1/20 0.33
HPGD P15428 2/20 0.33
HCAR2 Q8TDS4 3/20 0.32
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL18021983 0.83 SMN1; SMN2 (0.32) MEN1KMT2AALDH1A1HSD17B10ALOX15
SCHEMBL2228123 0.79 SMN1; SMN2 (0.48) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL17450551 0.78 KDM4E (0.41) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL17450552 0.77 GPR35 (0.40) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7996974 0.77 KMT2A (0.38) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL13982981 0.75 L3MBTL1 (0.38) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL8073258 0.75 L3MBTL1 (0.38) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL19175805 0.75 CYP1A2 (0.44) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL3400738 0.75 MEN1 (0.43) MCL1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL19356999 0.74 GABRG2 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2021-11-18 US disclosed
CN-113038990-A Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-06-25 CN disclosed
WO-2020079205-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2020-04-23 WO disclosed
EP-3256462-B1 SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3414236-A1 SUBSTITUIERTED 2-(HET)ARYL-IMIDAZOLYL-CARBOXYAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2018-12-19 EP disclosed
US-20180007900-A1 SUBSTITUTED 2-THIOIMIDAZOLYLCARBOXAMIDES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-11 US disclosed
EP-3256462-A1 SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP disclosed
CN-107428732-A Substituted 2-thioimidazolyl carboxamides as pest control agents 拜耳作物科学股份公司 2017-12-01 CN disclosed
WO-2017137338-A1 SUBSTITUIERTED 2-(HET)ARYL-IMIDAZOLYL-CARBOXYAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-17 WO disclosed
WO-2017137338-A1 SUBSTITUIERTED 2-(HET)ARYL-IMIDAZOLYL-CARBOXYAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-08-17 WO disclosed
WO-2016128298-A1 SUBSTITUTED 2-THIOIMIDAZOLYL-CARBOXAMIDES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS AMGEN INC (US) 2015-01-29 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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 (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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 MCL1 4192/4885L3MBTL1 4365/4885MEN1 1771/4885
US-20150031668-A1 CHROMAN DERIVATIVES AS TRPM8 INHIBITORS TRPM8, TRPM5, TRPM7 MCL1 3683/4885L3MBTL1 4745/4885MEN1 243/4885
US-20210355106-A1 NEW AMINO-PYRIMIDONYL-PIPERIDINYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM QDPR, QARS1, QPCTL MCL1 3812/4885L3MBTL1 4622/4885MEN1 3067/4885
US-20180007900-A1 SUBSTITUTED 2-THIOIMIDAZOLYLCARBOXAMIDES AS PESTICIDES TSNAX, DDT, PTMS MCL1 4580/4885L3MBTL1 336/4885MEN1 3368/4885

“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.