SCHEMBL4354200

SCHEMBL4354200

CSc1ccc(CNc2cccc(F)c2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
KDM4E B2RXH2 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 5/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP3A4 P08684 2/20 0.50
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
RECQL P46063 1/20 0.44
CYP2D6 P10635 1/20 0.42
PLK1 P53350 1/20 0.41
THRB P10828 1/20 0.41
ALOX12 P18054 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
SCHEMBL4348766 0.82 KMT2A (0.57) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4356048 0.82 MEN1 (0.48) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL16856424 0.81 HSD17B10 (0.50) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4349895 0.76 MEN1 (0.57) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4345895 0.75 BRD4 (0.43) KDM4EMAPTALDH1A1HPGDCYP1A2
SCHEMBL10055034 0.73 HDAC1 (0.54) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4343902 0.71 MAPT (0.60) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4342190 0.70 SLC6A2 (0.43) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4346932 0.70 KMT2A (0.50) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL4350086 0.70 L3MBTL1 (0.44) KMT2AKDM4EMAPTMEN1ALDH1A1

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 8 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-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 2662/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KMT2A 1254/4885KDM4E 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.