SCHEMBL4345375

SCHEMBL4345375

Nc1cc(-c2nc3ccccc3s2)cc(Cl)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.54
KDM4E B2RXH2 9/20 0.54
MAPT P10636 8/20 0.54
NPC1 O15118 8/20 0.54
ALDH1A1 P00352 6/20 0.54
APP P05067 5/20 0.54
GAA P10253 4/20 0.54
LMNA P02545 2/20 0.54
GLA P06280 2/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
HSD17B10 Q99714 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
POLB P06746 2/20 0.54
TP53 P04637 2/20 0.54

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
SCHEMBL11326988 0.90 RAB9A (0.61) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL4345372 0.82 MAPT (0.49) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL6284593 0.81 APP (0.69) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL2249002 0.81 APP (0.65) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL4505884 0.80 TP53 (0.52) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL4518940 0.79 MAPT (0.50) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL11193289 0.78 RAB9A (0.66) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL11325434 0.78 MAPT (0.64) RAB9AKDM4EMAPTNPC1ALDH1A1
SCHEMBL4349194 0.78 RAB9A (0.64) RAB9AKDM4EMAPTNPC1ALDH1A1
Hydrochloric Acid SCHEMBL11197196 0.77 RAB9A (0.64) RAB9AKDM4EMAPTNPC1ALDH1A1

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 18 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-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO 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
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN disclosed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP disclosed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO 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 4228/4885KDM4E 2662/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 RAB9A 4588/4885KDM4E 1689/4885MAPT 4184/4885

“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.