SCHEMBL5445313

SCHEMBL5445313

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.60
BRAF P15056 1/20 0.56
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.52
HSP90AA1 P07900 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
KDR P35968 1/20 0.52
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
PTGS1 P23219 1/20 0.50

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
SCHEMBL3476076 0.89 RAF1 (0.61) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL4243486 0.89 RAF1 (0.61) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL4247303 0.89 MEN1 (0.64) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL31440788 0.88 KMT2A (0.61) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL5456018 0.84 RAF1 (0.57) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL16782003 0.84 MAPT (0.70) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL8370028 0.84 GRIK1 (0.65) RAF1MAPTMEN1KMT2ALMNA
SCHEMBL8368359 0.82 MAPT (0.56) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL4243355 0.82 MEN1 (0.55) RAF1BRAFMAPTMEN1KMT2A
SCHEMBL938321 0.82 RAF1 (0.74) RAF1BRAFMAPTKDRALDH1A1

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
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US disclosed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 US disclosed
US-20070225347-A1 Imidazole Derivatives MERCK PATENT GMBH (DE) 2007-09-27 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 (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-20070225347-A1 Imidazole Derivatives TIE1, FLT1, FER RAF1 11/4885BRAF 20/4885MAPT 2430/4885

“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.