SCHEMBL4353814

SCHEMBL4353814

O=C(O)c1cccc(NCc2ccccc2Sc2ccc([N+](=O)[O-])cc2)c1O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MAPT P10636 8/20 0.49
MEN1 O00255 7/20 0.49
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.41
PKM P14618 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 0.88 SIRT1 (0.47) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4347450 0.86 PTGES (0.47) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4346831 0.86 KMT2A (0.49) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4353173 0.86 MAPT (0.41) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4341982 0.85 MAPT (0.48) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4350125 0.85 MEN1 (0.43) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL4351998 0.84 SMN1; SMN2 (0.46) KMT2AMEN1GAASMN1; SMN2LMNA
SCHEMBL4342487 0.84 LMNA (0.48) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL4354379 0.82 MMP2 (0.57) KMT2AMAPTMEN1GAASMN1; SMN2
SCHEMBL4341720 0.81 NOX4 (0.58) KMT2AMAPTMEN1PLA2G1BATG4B

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

“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.