SCHEMBL4345407

SCHEMBL4345407

COc1ccc(Sc2ccccc2CNc2cc(Cl)cc(C(C)O)c2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
MMP2 P08253 6/20 0.44
MMP9 P14780 6/20 0.44
MMP12 P39900 6/20 0.44
MMP14 P50281 1/20 0.44
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
GFER P55789 1/20 0.36
SLC6A4 P31645 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL4353431 0.91 SLC6A4 (0.43) MEN1KMT2APOLBLMNACYP2D6
SCHEMBL4349621 0.90 SMN1; SMN2 (0.39) MEN1KMT2APOLBCYP2D6CYP2C9
SCHEMBL4346140 0.89 CYP2D6 (0.38) MEN1KMT2APOLBLMNACYP2D6
SCHEMBL4345485 0.87 KMT2A (0.55) MEN1KMT2APOLBMMP2MMP9
SCHEMBL4346859 0.86 CYP2D6 (0.35) MEN1KMT2APOLBGAACYP2D6
SCHEMBL4354059 0.85 SLC6A4 (0.47) CYP2D6CYP2C9CYP2C19GFERSLC6A4
SCHEMBL4349041 0.84 MEN1 (0.50) MEN1KMT2APOLBMMP2MMP9
SCHEMBL4357627 0.84 MAPT (0.41) MEN1KMT2AGAALMNACYP2D6
SCHEMBL4351061 0.84 LMNA (0.40) POLBLMNACYP2D6CYP2C9CYP2C19
SCHEMBL4343716 0.83 ITGB2 (0.39) MEN1KMT2APOLBGAALMNA

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 MEN1 2168/4885KMT2A 2096/4885POLB 3571/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885POLB 2402/4885

“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.