SCHEMBL4352857

SCHEMBL4352857

O=C(Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
HPGD P15428 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 2/20 0.50
EPHX2 P34913 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL7734705 0.81 MAPK1 (0.74) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL4347822 0.80 KMT2A (0.68) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL4353325 0.80 CA12 (0.55) MEN1KMT2AMAPK1ALDH1A1LMNA
SCHEMBL4355908 0.79 NPC1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL12218527 0.78 KMT2A (0.70) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL4345315 0.78 CNR1 (0.59) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL15437984 0.78 KMT2A (0.77) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL30117933 0.78 KMT2A (0.77) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL20613056 0.78 MEN1 (0.61) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL4354009 0.77 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1LMNAKDM4E

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 11 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 disclosed
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
EP-2100876-A2 New compounds for the inhibition of rotamases and use thereof Jerini AG (DE) 2009-09-16 EP disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors JERINI AG (DE) 2007-03-08 US disclosed
CN-1701061-A Novel compounds for inhibiting rotamase enzymes and uses thereof JERINI AG (DE) 2005-11-23 CN disclosed
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP disclosed
WO-2004030664-A2 NEW COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2004-04-15 WO disclosed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO 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 2096/4885L3MBTL1 1972/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885KMT2A 1254/4885L3MBTL1 2528/4885

“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.