SCHEMBL4354569

SCHEMBL4354569

Oc1c(NCc2c(F)cccc2Cl)ccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
MPI P34949 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LCK P06239 4/20 0.44
BTK Q06187 4/20 0.44
MAPK14 Q16539 4/20 0.44
GAA P10253 2/20 0.44
CD38 P28907 1/20 0.44
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL4341643 0.86 RXFP1 (0.49) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4346858 0.86 RXFP1 (0.49) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4343462 0.81 LCK (0.46) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4352956 0.79 MAPT (0.56) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL12846750 0.78 RXFP1 (0.44) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4356068 0.76 RXFP1 (0.55) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4358210 0.75 CD38 (0.48) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL6696124 0.75 RXFP1 (0.57) RXFP1HTTMAPTMEN1KMT2A
SCHEMBL4359708 0.74 PRMT3 (0.40) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL6701678 0.74 RXFP1 (0.72) RXFP1HTTMAPTMEN1KMT2A

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 RXFP1 1012/4885HTT 3824/4885MAPT 4439/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 RXFP1 1098/4885HTT 3995/4885MAPT 4184/4885

“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.