SCHEMBL4355887

SCHEMBL4355887

O=C(NCc1ccc(C(F)(F)F)cc1)Nc1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.67
TRPV1 Q8NER1 9/20 0.67
NAMPT P43490 2/20 0.53
PRMT3 O60678 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATG4B Q9Y4P1 1/20 0.46
NLRP3 Q96P20 1/20 0.45
CXCR1 P25024 1/20 0.44

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
SCHEMBL4348892 0.84 MAPT (0.54) MTORTRPV1MEN1KMT2A
SCHEMBL4347125 0.82 TRPV1 (0.65) MTORTRPV1CXCR1
SCHEMBL4350115 0.81 BAZ1A (0.65) MTORTRPV1MEN1KMT2ACXCR1
SCHEMBL4357690 0.80 CHRNA7 (0.64) MTORTRPV1NAMPTPRMT3MEN1
SCHEMBL26625460 0.79 MTOR (0.71) MTORTRPV1NAMPTPRMT3MEN1
SCHEMBL24575984 0.78 MTOR (0.69) MTORTRPV1NAMPTPRMT3MEN1
SCHEMBL4347640 0.77 MTOR (0.57) MTORTRPV1NAMPTPRMT3ATG4B
SCHEMBL4357504 0.77 TRPV1 (0.61) MTORTRPV1NAMPTMEN1KMT2A
SCHEMBL4350084 0.76 MTOR (0.56) MTORTRPV1NAMPTPRMT3MEN1
SCHEMBL4343320 0.75 TRPV1 (0.63) MTORTRPV1NAMPTMEN1KMT2A

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 MTOR 1379/4885TRPV1 2328/4885NAMPT 4392/4885
US-20070054904-A1 Phenol derivatives and their use as rotamase inhibitors NR1I3, NR1D1, NR1D2 MTOR 1296/4885TRPV1 2320/4885NAMPT 3066/4885

“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.