SCHEMBL4357763

SCHEMBL4357763

CC(C)(C)NC(=O)Nc1cc(Cl)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 11/20 0.55
POLB P06746 1/20 0.55
CHRNA7 P36544 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 1/20 0.53
NTRK1 P04629 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
HSD17B2 P37059 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HIF1A Q16665 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL28295632 0.84 KCNMA1 (0.68) KCNMA1POLBCHRNA7KMT2AMEN1
SCHEMBL12846792 0.84 LMNA (0.56) POLBKMT2AMEN1MAPK1HTT
SCHEMBL4355807 0.84 KMT2A (0.54) KCNMA1POLBCHRNA7KMT2AMEN1
SCHEMBL7254163 0.81 KCNMA1 (0.60) KCNMA1POLBCHRNA7KMT2AMEN1
SCHEMBL4342359 0.81 POLB (0.68) KCNMA1POLBKMT2AMEN1HPGD
SCHEMBL26761206 0.79 MEN1 (0.44) KCNMA1POLBKMT2AMEN1MAPK1
SCHEMBL13672079 0.79 KCNMA1 (0.57) KCNMA1POLBCHRNA7KMT2AMEN1
SCHEMBL30015115 0.79 KCNMA1 (0.57) KCNMA1POLBCHRNA7KMT2AMEN1
SCHEMBL1249700 0.78 KCNMA1 (0.64) KCNMA1POLBKMT2AMEN1HPGD
SCHEMBL7256022 0.77 KCNMA1 (0.55) KCNMA1POLBCHRNA7KMT2AMEN1

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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP claimed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US claimed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN claimed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP 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 (2 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-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF NR1I3, NR1D1, NR1D2 KCNMA1 1006/4885POLB 3571/4885CHRNA7 416/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KCNMA1 1809/4885POLB 2402/4885CHRNA7 700/4885

“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.