SCHEMBL1640378

SCHEMBL1640378

CC(=O)c1cc(C(C)=O)c(C)nc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 1.00
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL19050133 0.88 SMN1; SMN2 (0.78) SMN1; SMN2KDM4EALDH1A1GAAHTT
SCHEMBL30531213 0.85 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL28596962 0.85 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EALDH1A1GAAKMT2A
SCHEMBL7598160 0.82 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1GAAHTT
SCHEMBL30531237 0.82 KDM4E (0.69) SMN1; SMN2KDM4EALDH1A1GAAHTT
Potassium Ion SCHEMBL9491461 0.80 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EALDH1A1HTTMEN1
SCHEMBL1641286 0.80 SMN1; SMN2 (0.69) SMN1; SMN2KDM4EALDH1A1GAAHTT
SCHEMBL70795 0.79 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL31128381 0.78 SMN1; SMN2 (0.63) SMN1; SMN2KDM4EALDH1A1GAAHTT
SCHEMBL9491457 0.77 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101787018-A 2,6-dimethyl 3,5-bis-[4,4'-(2-amino-3-cyano-thiophene)] pyridine and synthetic method thereof UNIV SHANGHAI 2010-07-28 CN claimed
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 US claimed
CN-113173884-B Method for synthesizing pyridine and derivative thereof by catalyzing hans ester 1, 4-dihydropyridine compound with titanocene dichloride 陕西师范大学 2023-08-15 CN disclosed
US-8273767-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2012-09-25 US disclosed
CN-101787018-B 2,6-dimethyl 3,5-bis-[4,4'-(2-amino-3-cyano-thiophene)] pyridine and synthetic method thereof UNIV SHANGHAI 2012-01-04 CN disclosed
US-7947711-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2011-05-24 US disclosed
US-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2011-04-28 US disclosed
CN-101787018-A 2,6-dimethyl 3,5-bis-[4,4'-(2-amino-3-cyano-thiophene)] pyridine and synthetic method thereof UNIV SHANGHAI 2010-07-28 CN disclosed
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-02-26 US disclosed
US-7456196-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2008-11-25 US disclosed
CN-1948287-A Acetyl-2,6-dimethyl pyridine-3,5-diethyl ketone hydrazone and its synthesis method UNIV SHANGHAI (CN) 2007-04-18 CN disclosed
CN-1948289-A Phenacyl-2,6-dimethyl pyridine-3,5-diethylketone hydrazone and its synthesis method UNIV SHANGHAI (CN) 2007-04-18 CN disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-7153889-B2 Bicyclic-substituted amines as histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2006-12-26 US disclosed
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2006-08-31 US disclosed
EP-1569637-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS Abbott Laboratories (US) 2005-09-07 EP disclosed
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands ABBVIE INC. 2004-08-05 US disclosed
WO-2004043458-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2004-05-27 WO disclosed
US-20020045679-A1 Aqueous ink composition HITACHI MAXELL, LTD. (JP) 2002-04-18 US disclosed
US-6176909-B1 IN POLYMERIC BINDER XEROX CORPORATION 2001-01-23 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-20110098285-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 SMN1; SMN2 3418/4885KDM4E 3344/4885ALDH1A1 1183/4885
US-20060194798-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH2 SMN1; SMN2 3418/4885KDM4E 3344/4885ALDH1A1 1183/4885
US-20090054420-A1 BICYCLIC-SUBSTITUTED AMINES AS HISTAMINE-3 RECEPTOR LIGANDS HRH3, HRH4, HRH2 SMN1; SMN2 3418/4885KDM4E 3344/4885ALDH1A1 1183/4885
US-20040152704-A1 Bicyclic-substituted amines as histamine-3 receptor ligands HRH3, HRH4, HRH1 SMN1; SMN2 3393/4885KDM4E 3614/4885ALDH1A1 687/4885

“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.