SCHEMBL4682849

SCHEMBL4682849

Cc1ccccc1C(=O)NC(C(N)=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.50
CNR1 P21554 3/20 0.50
CCR1 P32246 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TYK2 P29597 1/20 0.45
THRB P10828 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL5221653 0.86 HPGD (0.56) CCR1HPGDSMN1; SMN2ALDH1A1TYK2
Hydrochloric Acid SCHEMBL4682469 0.79 HPGD (0.47) CCR1HPGDSMN1; SMN2ALDH1A1TYK2
SCHEMBL13163165 0.79 HPGD (0.50) HPGDSMN1; SMN2ALDH1A1TYK2THRB
SCHEMBL4681864 0.79 CA2 (0.54) CNR2CNR1CCR1HPGDSMN1; SMN2
SCHEMBL12031902 0.77 CCR1 (0.67) CCR1HPGDSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13634677 0.75 THRB (0.48) CCR1HPGDSMN1; SMN2ALDH1A1THRB
SCHEMBL13634478 0.75 THRB (0.48) CCR1HPGDSMN1; SMN2ALDH1A1TYK2
SCHEMBL24571390 0.75 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1TYK2THRB
SCHEMBL15271735 0.75 GLA (0.55) HPGDSMN1; SMN2ALDH1A1TYK2THRB
SCHEMBL24567577 0.75 HPGD (0.53) HPGDSMN1; SMN2ALDH1A1TYK2THRB

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 8 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
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 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
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CNR2 2077/4885CNR1 1068/4885CCR1 4547/4885

“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.