SCHEMBL5453961

SCHEMBL5453961

NC(=O)c1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.63
BCR P11274 5/20 0.63
EPHX2 P34913 3/20 0.57
FAAH O00519 2/20 0.55
TRPV1 Q8NER1 3/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPK1 P28482 1/20 0.54
KDR P35968 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
PARP15 Q460N3 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
DHODH Q02127 1/20 0.48

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
SCHEMBL324161 0.89 PARP10 (0.59) ABL1BCREPHX2FAAHTRPV1
Hydrochloric Acid SCHEMBL11888844 0.88 PARP10 (0.57) ABL1BCREPHX2FAAHTRPV1
Hydrochloric Acid SCHEMBL3785321 0.88 PARP10 (0.57) ABL1BCREPHX2FAAHTRPV1
SCHEMBL22721370 0.86 TRPV1 (0.76) ABL1EPHX2FAAHTRPV1MAPT
SCHEMBL5473190 0.85 EPHX2 (0.70) ABL1BCREPHX2FAAHTRPV1
SCHEMBL22740915 0.84 PARP10 (0.53) ABL1BCREPHX2FAAHTRPV1
SCHEMBL8297933 0.84 ABL1 (0.56) ABL1BCREPHX2FAAHTRPV1
SCHEMBL22721342 0.84 PARP10 (0.70) ABL1BCREPHX2FAAHTRPV1
SCHEMBL20805842 0.83 EPHX2 (0.77) ABL1BCREPHX2FAAHTRPV1
SCHEMBL3194551 0.82 MAPT (0.61) ABL1BCREPHX2TRPV1MAPT

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-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US claimed
EP-1687253-A2 DIPHENYLAMINE DERIVATIVES Merk Patent Gmbh (DE) 2006-08-09 EP claimed
WO-2005051888-A2 DIPHENYLAMINE DERIVATIVES MERK PATENT GMBH (DE) 2005-06-09 WO claimed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070129433-A1 Diphenylamine derivatives MERCK PATENT GMBH (DE) 2007-06-07 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070123586-A1 Nitroso derivatives of diphenylamine MERCK PATENT GMBH (DE) 2007-05-31 US disclosed
US-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines MERCK PATENT GMBH (DE) 2007-03-29 US disclosed
US-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines MERCK PATENT GMBH (DE) 2007-03-29 US 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 (3 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-20070072915-A1 Novel phenoxyacetamide derivative and use thereof for preparation of diphenylamines PNMT, AADAC, INMT ABL1 200/4885BCR 3830/4885EPHX2 658/4885
US-20070123586-A1 Nitroso derivatives of diphenylamine NOS3, CBR3, CBR1 ABL1 576/4885BCR 1132/4885EPHX2 2041/4885
US-20070129433-A1 Diphenylamine derivatives CCNY, CHKB, CHKA ABL1 136/4885BCR 2468/4885EPHX2 2797/4885

“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.