SCHEMBL4359433

SCHEMBL4359433

CCc1c(Cl)cc(NCc2ccccc2Sc2ccc(OC)cc2)c(O)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
POLB P06746 2/20 0.51
MMP2 P08253 5/20 0.45
MMP9 P14780 5/20 0.45
MMP12 P39900 5/20 0.45
MMP14 P50281 1/20 0.45
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HTR1A P08908 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
SCHEMBL4354149 0.90 SLC6A4 (0.43) KMT2AMEN1POLBGAALMNA
SCHEMBL4341288 0.90 SMN1; SMN2 (0.39) KMT2AMEN1POLBCYP2C9CYP2C19
SCHEMBL4341608 0.89 MAPT (0.37) KMT2AMEN1POLBLMNAMAPT
SCHEMBL4355817 0.88 KMT2A (0.53) KMT2AMEN1POLBMMP2MMP9
SCHEMBL4357498 0.87 HTR1A (0.35) KMT2AMEN1POLBLMNAMAPT
SCHEMBL4349862 0.84 PRMT1 (0.39) LMNAKDM4EMAPTHPGDSLC6A4
SCHEMBL4348615 0.84 SLC6A4 (0.47) KMT2AMEN1KDM4EMAPTCYP3A4
SCHEMBL4350903 0.83 LMNA (0.39) KMT2AMEN1POLBLMNAKDM4E
SCHEMBL4359290 0.83 MAPT (0.44) KMT2AMEN1GAALMNAMAPT
SCHEMBL4345485 0.83 KMT2A (0.55) KMT2AMEN1POLBMMP2MMP9

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 2096/4885MEN1 2168/4885POLB 3571/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 KMT2A 1254/4885MEN1 3901/4885POLB 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.