SCHEMBL4682872

SCHEMBL4682872

Cc1ccc(C(=O)NC(CF)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CA2 P00918 9/20 0.48
CA1 P00915 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
UTS2R Q9UKP6 1/20 0.45
GRN P28799 1/20 0.44
SORT1 Q99523 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PTPN1 P18031 1/20 0.44

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
SCHEMBL4682874 1.00 MEN1 (0.53) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL4682862 0.85 KMT2A (0.51) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL13370243 0.85 CA2 (0.65) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL10659467 0.85 MEN1 (0.54) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL12982953 0.85 CA2 (0.65) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL12982952 0.85 CA2 (0.65) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL25949546 0.84 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL5867364 0.83 CA2 (0.64) MEN1KMT2ASMN1; SMN2HPGDALDH1A1
SCHEMBL4160513 0.82 CA2 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1CA2
SCHEMBL18803717 0.82 CA2 (0.57) MEN1KMT2ASMN1; SMN2HPGDALDH1A1

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 MEN1 800/4885KMT2A 1382/4885SMN1; SMN2 650/4885

“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.