SCHEMBL1912419

SCHEMBL1912419

Cc1cc(CCl)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
CHRNB2 P17787 6/20 0.34
CHRNA4 P43681 6/20 0.34
CHRNB4 P30926 5/20 0.34
CHRNA3 P32297 5/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL2597202 0.83 NOS3 (0.35) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1912301 0.81 LOX (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL335739 0.81 RECQL (0.39) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL1145964 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ECYP3A4CYP2C19HIF1A
Hydrochloric Acid SCHEMBL14801170 0.79 LOX (0.38) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13859499 0.78 CYP1A2 (0.33) ALDH1A1KDM4ECYP3A4CYP2C19CHRNB2
SCHEMBL17229261 0.78 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL13859197 0.78 KDM4E (0.35) ALDH1A1KDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL1141323 0.77 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNA4NPSR1
SCHEMBL30833526 0.77 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNA4NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621230-B Nitrogen-containing heterocyclic compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2023-06-16 CN disclosed
CN-114621230-A Nitrogen-containing heterocyclic compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-06-14 CN disclosed
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators NOVARTIS AG (CH) 2019-04-09 US disclosed
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2018-01-04 US disclosed
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS NOVARTIS AG (CH) 2016-03-24 US disclosed
US-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
US-9238646-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as WNT signaling modulators NOVARTIS AG (CH) 2016-01-19 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-9181235-B2 Substituted pyridines for modulating the WNT signaling pathway NOVARTIS AG (CH) 2015-11-10 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
EP-0629191-A1 PROCESS FOR PREPARING 2-HALO-5-HALOMETHYLPYRIDINES REILLY INDUSTRIES, INC. (US) 1994-12-21 EP disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
WO-1993018004-A1 PROCESS FOR PREPARING 2-HALO-5-HALOMETHYLPYRIDINES REILLY INDUSTRIES, INC. (US) 1993-09-16 WO disclosed
US-5229519-A Process for preparing 2-halo-5-halomethylpyridines REILLY INDUSTRIES, INC. (US) 1993-07-20 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP 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 (3 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-20160082014-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ALDH1A1 232/4885KDM4E 2412/4885CYP3A4 543/4885
US-10251893-B2 N-(hetero)aryl, 2-(hetero)aryl-substituted acetamides for use as Wnt signaling modulators WNT1, CTNNB1, CTNNA1 ALDH1A1 232/4885KDM4E 2412/4885CYP3A4 543/4885
US-20180000832-A1 N-(HETERO)ARYL, 2-(HETERO)ARYL-SUBSTITUTED ACETAMIDES FOR USE AS WNT SIGNALING MODULATORS WNT1, CTNNB1, CTNNA1 ALDH1A1 232/4885KDM4E 2412/4885CYP3A4 543/4885

“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.