SCHEMBL4358210

SCHEMBL4358210

Cc1c(Cl)cc(NCc2c(F)cccc2Cl)c(O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.48
MAPT P10636 2/20 0.44
LCK P06239 3/20 0.44
BTK Q06187 3/20 0.44
MAPK14 Q16539 2/20 0.44
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.41
MPI P34949 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL4343462 0.80 LCK (0.46) CD38MAPTLCKBTKMAPK14
SCHEMBL4346858 0.79 RXFP1 (0.49) CD38MAPTLCKBTKMAPK14
SCHEMBL4341643 0.79 RXFP1 (0.49) CD38MAPTLCKBTKMAPK14
SCHEMBL4351839 0.76 HDAC8 (0.45) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4345563 0.76 BRD4 (0.49) TSHRCYP3A4P2RX7
SCHEMBL4354569 0.75 RXFP1 (0.46) CD38MAPTLCKBTKMAPK14
SCHEMBL4352956 0.75 MAPT (0.56) CD38MAPTLCKBTKMAPK14
SCHEMBL4356068 0.75 RXFP1 (0.55) CD38MAPTLCKBTKMAPK14
SCHEMBL4349831 0.73 RXFP1 (0.46) RXFP1MEN1KMT2AHPGDGAA
SCHEMBL4347334 0.73 CD38 (0.46) CD38MAPTKDM4EMEN1KMT2A

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 10 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-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
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
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

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 CD38 4419/4885MAPT 4439/4885LCK 3834/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 CD38 4264/4885MAPT 4184/4885LCK 3004/4885

“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.