SCHEMBL4347494

SCHEMBL4347494

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
MAPT P10636 4/20 0.74
KMT2A Q03164 4/20 0.74
LMNA P02545 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
RAF1 P04049 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDK8 P49336 1/20 0.56
STK39 Q9UEW8 1/20 0.53
CA12 O43570 5/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA9 Q16790 5/20 0.53
CASP3 P42574 1/20 0.52

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
SCHEMBL4354878 0.87 MEN1 (0.73) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL20211616 0.86 MEN1 (1.00) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL30516130 0.86 MEN1 (1.00) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL4355989 0.84 STK39 (0.67) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL4347461 0.84 NPC1 (0.59) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL4354102 0.83 TRPV1 (0.58) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL4350770 0.82 MEN1 (0.67) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL4350274 0.82 EPHX2 (0.64) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL30053559 0.81 CA12 (0.73) MEN1MAPTKMT2ALMNANPSR1
SCHEMBL3706592 0.80 KMT2A (0.75) MEN1MAPTKMT2ALMNANPSR1

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 MEN1 2168/4885MAPT 4439/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885MAPT 4184/4885KMT2A 1254/4885

“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.