SCHEMBL4461464

SCHEMBL4461464

Clc1ccc(C#Cc2ccc(Br)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GRM5 P41594 1/20 0.42
LMNA P02545 3/20 0.42
CYP2A6 P11509 2/20 0.42
DRD4 P21917 1/20 0.41
GPR183 P32249 2/20 0.39
APP P05067 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ADK P55263 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL20015760 0.86 CYP2A6 (0.57) LMNACYP2A6APPMAOAMAOB
SCHEMBL1246271 0.86 CYP2A6 (0.57) LMNACYP2A6APPMAOAMAOB
SCHEMBL20015814 0.86 LMNA (0.57) KCNH2GRM5LMNACYP2A6APP
SCHEMBL719360 0.86 LMNA (0.57) KCNH2GRM5LMNACYP2A6APP
Charcoal, Activated SCHEMBL31286310 0.83 KCNH2 (0.54) KCNH2GRM5LMNACYP2A6APP
SCHEMBL197605 0.83
1,4-Dichlorobenzene SCHEMBL10839178 0.83 CYP2A6 (0.61) LMNACYP2A6DRD4MEN1KMT2A
Water SCHEMBL15842032 0.80
Fluoride SCHEMBL2941684 0.80 CYP2A6 (0.57) LMNACYP2A6DRD4MEN1KMT2A
Magnesium SCHEMBL30533117 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538623-B1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-12-20 EP disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
EP-3538623-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2019-09-18 EP disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-7479575-B2 Method for preparing para-phenyl alkynyl benzaldehydes LABORATOIRES SERONO SA (CH) 2009-01-20 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
US-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2008-05-08 US disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
EP-1675813-B1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES SERONO LAB (CH) 2007-12-19 EP disclosed
EP-1675813-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES Applied Research Systems ARS Holding N.V. (NL) 2006-07-05 EP disclosed
WO-2005037758-A1 METHOD FOR PREPARING PARA-PHENYL ALKYNYL BENZALDEHYDES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-04-28 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-20080108849-A1 Method For Preparing Para-Phenyl Alkynyl Benzaldehydes TNNC1, CPT1B, MUSK KCNH2 7/4885GRM5 3609/4885LMNA 18/4885
US-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 KCNH2 286/4885GRM5 2589/4885LMNA 4314/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KCNH2 286/4885GRM5 2589/4885LMNA 4314/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KCNH2 286/4885GRM5 2589/4885LMNA 4314/4885

“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.