SCHEMBL4359261

SCHEMBL4359261

CC(C)(C)CC(C)(C)NC(=O)Nc1cccc(Cl)c1O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 4/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CXCR2 P25025 4/20 0.43
LMNA P02545 1/20 0.41
MAPK14 Q16539 4/20 0.41
TRPV1 Q8NER1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CX3CR1 P49238 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL4355470 0.84 MEN1 (0.74) KMT2AMEN1MAPK1POLBHTT
SCHEMBL6565420 0.84 MEN1 (0.51) KMT2AMEN1MAPK1POLBHTT
SCHEMBL4352955 0.83 HTT (0.52) KMT2AMEN1MAPK1POLBHTT
SCHEMBL4342367 0.83 HTT (0.47) KMT2AMEN1MAPK1POLBHTT
SCHEMBL6568613 0.82 KMT2A (0.49) KMT2AMEN1MAPK1POLBHTT
SCHEMBL4341826 0.81 HSPA5 (0.46) KMT2AMEN1MAPK1POLBHTT
SCHEMBL6568668 0.80 GAA (0.61) KMT2AMEN1MAPK1POLBHTT
SCHEMBL21246831 0.78 POLB (0.54) KMT2APOLBHTT
SCHEMBL6673594 0.78 MEN1 (0.48) KMT2AMEN1MAPK1POLBHTT
SCHEMBL6526431 0.76 HTT (0.47) KMT2AMEN1MAPK1POLBHTT

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 10 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
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN 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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
US-20110065760-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES AND USE THEREOF JERINI AG (DE) 2011-03-17 US disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
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 KMT2A 2096/4885MEN1 2168/4885MAPK1 2517/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KMT2A 1254/4885MEN1 3901/4885MAPK1 1913/4885

“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.