SCHEMBL4356048

SCHEMBL4356048

CSc1ccc(CNc2ccc(F)c(F)c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 2/20 0.46
NPC1 O15118 3/20 0.45
CYP2D6 P10635 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4354200 0.82 KMT2A (0.57) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4349895 0.76 MEN1 (0.57) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4348766 0.73 KMT2A (0.57) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4346932 0.73 KMT2A (0.50) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4347397 0.72 BRD4 (0.41) MEN1KMT2ACYP1A2CYP2C19MAPT
SCHEMBL4353894 0.72 KMT2A (0.54) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4343902 0.71 MAPT (0.60) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL9682993 0.71 MEN1 (0.47) MEN1KMT2ARAB9ACYP1A2CYP2C9
SCHEMBL4358580 0.70 SLC6A4 (0.42) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL5923871 0.68 MEN1 (0.72) MEN1KMT2ARAB9ACYP1A2CYP2C9

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 MEN1 2168/4885KMT2A 2096/4885RAB9A 4228/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885RAB9A 4588/4885

“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.