SCHEMBL4680332

SCHEMBL4680332

CC(C)(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.64
HTT P42858 1/20 0.54
CCR1 P32246 1/20 0.53
POLB P06746 1/20 0.51
TRPA1 O75762 6/20 0.50
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 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
SCHEMBL9838805 0.87 HTT (0.51) CA2HTTCCR1POLBTRPA1
SCHEMBL11561317 0.87 HTT (0.51) CA2HTTCCR1POLBTRPA1
SCHEMBL4678368 0.85 HTT (0.53) CA2HTTCCR1POLBTRPA1
SCHEMBL15260867 0.85 CA2 (0.66) CA2POLBTRPA1GAASMN1; SMN2
SCHEMBL16235129 0.84 CCR1 (0.58) CA2HTTCCR1POLBTRPA1
SCHEMBL7897280 0.84 CA2 (0.65) CA2CCR1POLBSMN1; SMN2RAB9A
SCHEMBL4680240 0.84 CA2 (0.65) CA2CCR1POLBSMN1; SMN2RAB9A
SCHEMBL15787057 0.83 GRN (0.58) CA2HTTPOLBKDM4ENPC1
SCHEMBL21310010 0.81 CA2 (0.61) CA2HTTCCR1SMN1; SMN2ALDH1A1
SCHEMBL26623380 0.79 CA2 (0.56) CA2POLBKDM4ESMN1; SMN2ALDH1A1

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 CA2 369/4885HTT 2960/4885CCR1 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.