SCHEMBL4679517

SCHEMBL4679517

CSC(=NC#N)NCc1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.40
HPGD P15428 3/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 1/20 0.39
LSS P48449 1/20 0.39
RECQL P46063 1/20 0.39
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4679515 1.00 MEN1 (0.45) MEN1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL6641525 0.93 CYP2C9 (0.41) MEN1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL19494294 0.84 IDO1 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL13325143 0.84 IDO1 (0.53) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4684000 0.84 MAPT (0.43) RAB9ANPC1ALDH1A1MAPTIDO1
SCHEMBL4684003 0.84 MAPT (0.43) RAB9ANPC1ALDH1A1MAPTIDO1
SCHEMBL8566519 0.84 IDO1 (0.36) IDO1
SCHEMBL17731575 0.82 ALDH1A1 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL17731576 0.82 ALDH1A1 (0.50) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL4886448 0.82 EPHX2 (0.49) MEN1KMT2ACYP2C19RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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 (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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 MEN1 800/4885KMT2A 1382/4885CYP2C9 3338/4885

“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.