SCHEMBL8915053

SCHEMBL8915053

CCN(C(=O)Nc1ccc(C(F)(F)F)cc1)c1ccc(C)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTOR P42345 1/20 0.44
MAPT P10636 1/20 0.44
EPHX2 P34913 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
THRB P10828 1/20 0.42
PIM1 P11309 1/20 0.42
CYP2C9 P11712 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL8917261 0.79 APEX1 (0.50) MEN1KMT2AEPHX2LMNANPSR1
SCHEMBL20038047 0.71 KMT2A (0.42) MEN1KMT2AMAPTHTTCYP3A4
SCHEMBL134581 0.68 TP53 (0.66) MTOREPHX2NPC1TP53RAB9A
SCHEMBL3634800 0.68 MLYCD (0.40) KMT2AMAPTHTTNPC1RAB9A
SCHEMBL23059791 0.68 SMN1; SMN2 (0.58) MEN1KMT2AEPHX2LMNAHTT
SCHEMBL19708072 0.68 MEN1 (0.66) MEN1KMT2AMAPTLMNAHTT
SCHEMBL6229257 0.67 MLYCD (0.54) MTORHTTMLYCD
SCHEMBL18858421 0.67 DHODH (0.47) EPHX2DHODH
SCHEMBL28060973 0.67 MEN1 (0.73) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2518624 0.66 EPHX2 (0.76) MEN1KMT2AEPHX2NPC1RAB9A

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-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MEN1 1851/4885KMT2A 1623/4885MTOR 1162/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MEN1 3512/4885KMT2A 2349/4885MTOR 3532/4885

“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.