SCHEMBL4030840

SCHEMBL4030840

CNCc1ccc(C#N)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
HTR2A P28223 3/20 0.58
SLC6A4 P31645 6/20 0.56
SLC6A3 Q01959 3/20 0.56
P2RX7 Q99572 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
SLC6A2 P23975 2/20 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
SCHEMBL13875916 0.83 P2RX7 (0.46) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL14107962 0.81 CYP2A6 (0.47) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL8667094 0.80 P2RX7 (0.59) KCNH2HTR2AP2RX7ALDH1A1LMNA
SCHEMBL7773063 0.79 ALDH1A1 (0.43) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL320376 0.78 LOXL2 (0.50) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL8303374 0.77 KCNH2 (0.51) KCNH2HTR2ASLC6A4SLC6A3LOXL2
SCHEMBL15561990 0.77 ALDH1A1 (0.45) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL12653174 0.77 ALDH1A1 (0.42) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL533946 0.77 ALDH1A1 (0.42) KCNH2HTR2ASLC6A4SLC6A3P2RX7
SCHEMBL2678910 0.77 LOXL2 (0.47) KCNH2HTR2ASLC6A4SLC6A3P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
US-7524852-B2 Bicyclic pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-04-28 US disclosed
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 EP disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US disclosed
EP-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 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 (1 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 KCNH2 4507/4885HTR2A 1857/4885SLC6A4 2222/4885

“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.