SCHEMBL683816

SCHEMBL683816

Nc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.76
PTGS1 P23219 2/20 0.68
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
POLB P06746 1/20 0.67
PKM P14618 1/20 0.67
APEX1 P27695 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC2 Q92769 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64

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
SCHEMBL677496 1.00 TRPV1 (0.76) TRPV1PTGS1MEN1KMT2ALMNA
SCHEMBL22721370 0.88 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL5539768 0.86 TRPV1 (0.78) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL23657648 0.86 TRPV1 (0.78) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL22323507 0.85 TRPV1 (0.56) TRPV1PTGS1MEN1KMT2ALMNA
SCHEMBL22815834 0.85 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4
SCHEMBL14640504 0.85 TRPV1 (0.76) TRPV1MEN1KMT2ALMNAHDAC3
SCHEMBL4878398 0.85 TRPV1 (0.76) TRPV1MEN1KMT2ALMNAHDAC3
SCHEMBL4883678 0.85 TRPV1 (0.76) TRPV1MEN1KMT2ALMNAHDAC3
Hydrochloric Acid SCHEMBL5797909 0.85 TRPV1 (0.76) TRPV1MEN1KMT2AHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-8633245-B2 PAI-1 inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2014-01-21 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
EP-2272817-A1 PAI-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2011-01-12 EP disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 WO disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
US-20090312315-A1 PAI-1 INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-17 US disclosed
WO-2009125606-A1 PAI-1 INHIBITOR 株式会社医薬分子設計研究所 (JP) 2009-10-15 WO 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB TRPV1 4289/4885PTGS1 2887/4885MEN1 1490/4885
US-20090312315-A1 PAI-1 INHIBITOR SERPINC1, SERPINE1, SERPINH1 TRPV1 4862/4885PTGS1 97/4885MEN1 210/4885

“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.