SCHEMBL3868436

SCHEMBL3868436

N#Cc1ccc(C(=O)Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
AR P10275 1/20 0.39
GRM5 P41594 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A3 Q01959 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MYC P01106 1/20 0.38
PTPN1 P18031 1/20 0.38
EPHX2 P34913 1/20 0.37
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
LRRK2 Q5S007 1/20 0.36
P4HA1 P13674 1/20 0.35
P4HTM Q9NXG6 1/20 0.35

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
SCHEMBL31281693 0.82 P4HA1 (0.55) KCNQ3KCNQ2NAPRTGRM5P4HA1
SCHEMBL65165 0.82 P4HA1 (0.55) KCNQ3KCNQ2NAPRTGRM5P4HA1
SCHEMBL1993840 0.81 GRM5 (0.58) KCNQ3KCNQ2GRM5MYC
SCHEMBL1584376 0.81 MAPT (0.49) KCNQ3KCNQ2S1PR1S1PR3AR
SCHEMBL2515153 0.81 KCNQ3 (0.46) KCNQ3KCNQ2S1PR1S1PR3AR
SCHEMBL19580190 0.81 KCNQ3 (0.46) KCNQ3KCNQ2S1PR1S1PR3AR
SCHEMBL12160256 0.77 GSK3B (0.56) KCNQ3KCNQ2S1PR1S1PR3AR
SCHEMBL880697 0.77 MAPK1 (0.59) KCNQ3KCNQ2ARPTPN1NOS1
SCHEMBL3820613 0.77 GRM5 (0.61) KCNQ3KCNQ2S1PR1S1PR3AR
SCHEMBL22583293 0.77 ALDH1A1 (0.46) KCNQ3KCNQ2S1PR1S1PR3AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114507181-B Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-03-26 CN disclosed
CN-113149900-B Amide compound and application thereof 沈阳化工大学 2023-09-15 CN disclosed
US-20220220073-A1 BISAMIDE COMPOUND AND APPLICATION THEREOF Metisa Biotechnology Co., Ltd (CN) 2022-07-14 US disclosed
CN-114507181-A Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-05-17 CN disclosed
WO-2021139370-A1 AMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2021-07-15 WO disclosed
WO-2021139370-A1 AMIDE COMPOUND AND APPLICATION THEREOF 沈阳化工大学 2021-07-15 WO disclosed
EP-2736907-B1 INDAZOLES PFIZER LTD (GB) 2015-10-07 EP disclosed
US-8895544-B2 Indazoles PFIZER LIMITED (GB) 2014-11-25 US disclosed
EP-2736907-A1 INDAZOLES Pfizer Limited (GB) 2014-06-04 EP disclosed
US-20140024634-A1 INDAZOLES PFIZER LIMITED (GB) 2014-01-23 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US disclosed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP disclosed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP disclosed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO 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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 KCNQ3 2190/4885KCNQ2 1967/4885S1PR1 3856/4885
US-20140024634-A1 INDAZOLES JAK1, JAK3, JAK2 KCNQ3 787/4885KCNQ2 1191/4885S1PR1 1451/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 KCNQ3 2190/4885KCNQ2 1967/4885S1PR1 3856/4885
US-20220220073-A1 BISAMIDE COMPOUND AND APPLICATION THEREOF FHIT, DDT, BCHE KCNQ3 1649/4885KCNQ2 872/4885S1PR1 4070/4885

“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.