SCHEMBL4350115

SCHEMBL4350115

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BAZ1A Q9NRL2 1/20 0.65
EPHX2 P34913 2/20 0.65
TRPV1 Q8NER1 2/20 0.64
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA9 Q16790 4/20 0.55
MTOR P42345 3/20 0.55
GRIK1 P39086 1/20 0.53
CXCR1 P25024 1/20 0.51
STING1 Q86WV6 1/20 0.50
TGM2 P21980 1/20 0.49

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
SCHEMBL6672789 0.86 EPHX1 (0.60) BAZ1AEPHX2TRPV1MEN1KMT2A
SCHEMBL26697260 0.86 CA12 (0.64) BAZ1AEPHX2TRPV1MEN1KMT2A
SCHEMBL6760901 0.85 EPHX2 (0.56) BAZ1AEPHX2TRPV1MEN1KMT2A
SCHEMBL1463622 0.85 TRPV1 (0.70) BAZ1ATRPV1MEN1KMT2AMAPT
SCHEMBL18031166 0.84 EPHX2 (0.85) BAZ1AEPHX2TRPV1MEN1KMT2A
SCHEMBL5595005 0.82 CXCR1 (0.70) BAZ1AEPHX2TRPV1MEN1KMT2A
SCHEMBL5595251 0.82 RAB9A (0.66) BAZ1AEPHX2MEN1KMT2AMAPT
SCHEMBL4350776 0.82 KMT2A (0.49) BAZ1ATRPV1MEN1KMT2AMAPT
SCHEMBL4342071 0.82 EPHX2 (0.68) EPHX2MEN1KMT2AMAPTHTT
SCHEMBL5595105 0.81 CXCR1 (0.70) EPHX2TRPV1MEN1KMT2AMAPT

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 6 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
CN-100546977-C Suppress the new compound and the application thereof of rotamase JERINI AG (DE) 2009-10-07 CN 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-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 BAZ1A 1985/4885EPHX2 769/4885TRPV1 2328/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 BAZ1A 1267/4885EPHX2 627/4885TRPV1 2320/4885

“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.