SCHEMBL4350036

SCHEMBL4350036

O=C(O)c1cccc(NCc2ccccc2Sc2ccccc2Cl)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PLA2G1B P04054 2/20 0.44
MAPT P10636 2/20 0.44
ATG4B Q9Y4P1 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC16A3 O15427 2/20 0.42
PBRM1 Q86U86 1/20 0.42
HPGD P15428 3/20 0.41
TTR P02766 2/20 0.41
USP2 O75604 1/20 0.41
MT-CO2 P00403 1/20 0.41
CYP1A2 P05177 1/20 0.41
PGR P06401 1/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL4349521 0.86 SIRT1 (0.47) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4342487 0.86 LMNA (0.48) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4341642 0.86 CA12 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4341565 0.85 PTPRG (0.46) MEN1KMT2APLA2G1BMAPTATG4B
SCHEMBL4347645 0.84 SLC6A2 (0.47) MEN1KMT2APLA2G1BMAPTATG4B
SCHEMBL4347430 0.82 CA12 (0.41) MAPTKDM4ESMN1; SMN2HSD17B10L3MBTL1
SCHEMBL4357641 0.81 LMNA (0.42) MEN1KMT2APLA2G1BMAPTATG4B
SCHEMBL4351998 0.81 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL4343735 0.79 ITGB2 (0.39) PKMMEN1KMT2APLA2G1BMAPT
SCHEMBL4353421 0.79 NOX4 (0.65) PKMMAPTALDH1A1KDM4ESMN1; SMN2

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 PKM 333/4885MEN1 2168/4885KMT2A 2096/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 PKM 421/4885MEN1 3901/4885KMT2A 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.