SCHEMBL4352008

SCHEMBL4352008

Oc1c(F)cccc1NCc1ccccc1Sc1ccc2cccnc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.43
KDM4E B2RXH2 8/20 0.43
MEN1 O00255 8/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 5/20 0.43
MAPT P10636 5/20 0.43
BLM P54132 2/20 0.43
NSD2 O96028 1/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 2/20 0.43
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
USP2 O75604 1/20 0.43
ALOX12 P18054 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP6 P55212 1/20 0.40
APAF1 O14727 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4354659 0.89 KDM4E (0.40) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4347776 0.89 KMT2A (0.44) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4354139 0.88 KMT2A (0.41) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4344502 0.88 MEN1 (0.43) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4347748 0.87 LMNA (0.41) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4341844 0.85 MEN1 (0.41) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4341996 0.85 MAPT (0.39) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4347133 0.85 KMT2A (0.51) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4349188 0.83 HDAC6 (0.40) KMT2AKDM4EMEN1ALDH1A1L3MBTL1
SCHEMBL4355994 0.82 KMT2A (0.45) KMT2AKDM4EMEN1ALDH1A1L3MBTL1

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 9 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
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

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 2096/4885KDM4E 2662/4885MEN1 2168/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KMT2A 1254/4885KDM4E 1689/4885MEN1 3901/4885

“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.