SCHEMBL4347334

SCHEMBL4347334

Cc1c(Cl)cc(NCc2cccc3ccccc23)c(O)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 6/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ENPP2 Q13822 1/20 0.39
AR P10275 1/20 0.39
EGFR P00533 1/20 0.39
IGF1R P08069 1/20 0.39
FLT4 P35916 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
SCHEMBL4353017 0.80 MEN1 (0.46) CD38KMT2AMEN1ALOX12MAPT
SCHEMBL6568634 0.80 BRD4 (0.46) KMT2AMEN1MAPTTP53GAA
SCHEMBL4355466 0.79 CYP3A4 (0.44) CD38KMT2AMEN1CYP3A4MAPT
SCHEMBL4351839 0.78 HDAC8 (0.45) KMT2AMEN1CYP3A4MAPTGAA
SCHEMBL4351936 0.78 ALOX12 (0.55) CD38KMT2AMEN1ALOX12MAPT
SCHEMBL4345509 0.78 MAPT (0.36) CD38KMT2AMEN1CYP3A4MAPT
SCHEMBL4346931 0.78 PRMT1 (0.40) CD38KMT2AMEN1MAPTTP53
SCHEMBL4346146 0.77 SMN1; SMN2 (0.41) KMT2AMEN1MAPTTP53GAA
SCHEMBL4346467 0.76 SLC6A4 (0.49) CD38KMT2AMEN1MAPTTP53
SCHEMBL4345556 0.75 ALOX12 (0.49) KMT2AMEN1CYP3A4ALOX12MAPT

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 6 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
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 CD38 4419/4885KMT2A 2096/4885MEN1 2168/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 CD38 4264/4885KMT2A 1254/4885MEN1 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.