SCHEMBL4518943

SCHEMBL4518943

NC(=O)N(S)c1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
TP53 P04637 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 10/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
NPC1 O15118 4/20 0.44
GAA P10253 3/20 0.44
GLA P06280 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PAX8 Q06710 1/20 0.41
NOD2 Q9HC29 1/20 0.41

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
SCHEMBL4347968 0.83 MAPT (0.48) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4348878 0.83 ALOX15 (0.46) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4345372 0.82 MAPT (0.49) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4342090 0.81 MAOB (0.47) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL11326988 0.80 RAB9A (0.61) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4502455 0.80 MAPT (0.44) RAB9ATP53SMN1; SMN2HSD17B10POLB
SCHEMBL4344405 0.79 KDM4E (0.45) RAB9ATP53SMN1; SMN2LMNAMAPT
SCHEMBL4505884 0.78 TP53 (0.52) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4345375 0.77 RAB9A (0.54) RAB9ATP53SMN1; SMN2LMNANFKB1
SCHEMBL4518937 0.75 MAPT (0.44) RAB9ATP53SMN1; SMN2LMNANFKB1

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 disclosed
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP disclosed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO disclosed
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP disclosed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 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 RAB9A 4228/4885TP53 4868/4885SMN1; SMN2 1791/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 RAB9A 4588/4885TP53 4551/4885SMN1; SMN2 3250/4885

“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.