SCHEMBL4349017

SCHEMBL4349017

CC(=O)Nc1ccc(Sc2ccccc2CNc2cc(Cl)c(C)c(Cl)c2O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 1/20 0.38
BLM P54132 2/20 0.37
TP53 P04637 1/20 0.37
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
JAK2 O60674 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
PTPN1 P18031 1/20 0.34
CDC25A P30304 1/20 0.34
CDC25B P30305 1/20 0.34
HDAC8 Q9BY41 1/20 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
SCHEMBL4350903 0.89 LMNA (0.39) LMNASMN1; SMN2POLBMAPTRAB9A
SCHEMBL4345487 0.87 MAPT (0.39) LMNASMN1; SMN2POLBMAPTBLM
SCHEMBL4343949 0.87 SLC6A4 (0.45) LMNASMN1; SMN2POLBMAPTBLM
SCHEMBL4346146 0.86 SMN1; SMN2 (0.41) SMN1; SMN2POLBMAPTBLMTP53
SCHEMBL4346370 0.86 CTSD (0.41) LMNASMN1; SMN2POLBMAPTRAB9A
SCHEMBL4353960 0.85 MAPT (0.43) LMNASMN1; SMN2POLBMAPTRAB9A
SCHEMBL4346978 0.83 MAPT (0.41) LMNASMN1; SMN2POLBMAPTRAB9A
SCHEMBL4349859 0.83 HTR1A (0.37) LMNASMN1; SMN2POLBMAPTTP53
SCHEMBL4355817 0.83 KMT2A (0.53) LMNAPOLBMAPTTP53PKM
SCHEMBL4349221 0.82 MAPT (0.46) LMNAMAPTALDH1A1PKMNPSR1

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 LMNA 3160/4885SMN1; SMN2 1791/4885POLB 3571/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 LMNA 3661/4885SMN1; SMN2 3250/4885POLB 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.