SCHEMBL4354035

SCHEMBL4354035

O=C(Nc1cc(Cl)cc(Cl)c1)N(S)c1cccc(Cl)c1O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RX1 P51575 2/20 0.41
P2RX4 Q99571 2/20 0.41
P2RX7 Q99572 2/20 0.41
TMPRSS4 Q9NRS4 2/20 0.41
P2RY1 P47900 1/20 0.40
ALOX15 P16050 1/20 0.39
STK39 Q9UEW8 1/20 0.38
KLKB1 P03952 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FADS1 O60427 1/20 0.38
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
FBP1 P09467 1/20 0.37

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
SCHEMBL4343809 0.87 TSHR (0.47) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4344053 0.86 GAA (0.41) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4347315 0.86 EGFR (0.49) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4346893 0.84 PTGS1 (0.41) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4349759 0.80 NPSR1 (0.43) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4353671 0.79 P2RX1 (0.49) RAB9AP2RX1P2RX4P2RX7TMPRSS4
SCHEMBL4346853 0.78 STK39 (0.51) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4341696 0.77 P2RX1 (0.54) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4342472 0.77 P2RY1 (0.41) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL4353445 0.76 TSHR (0.47) MEN1MAPTRAB9AKMT2AP2RX1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MEN1 3901/4885MAPT 4184/4885RAB9A 4588/4885

“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.