SCHEMBL8917261

SCHEMBL8917261

CCN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc(C)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.50
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
POLB P06746 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
GRM4 Q14833 1/20 0.40

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
SCHEMBL8915053 0.79 MEN1 (0.46) CYP3A4LMNARAB9ANPC1NPSR1
SCHEMBL8098465 0.73 APEX1 (0.68) APEX1CYP3A4LMNARAB9ANPC1
SCHEMBL11761220 0.72 APEX1 (0.71) APEX1CYP3A4ALDH1A1LMNARAB9A
Dcmu SCHEMBL1352353 0.68 APEX1 (1.00) APEX1CYP3A4ALDH1A1LMNARAB9A
Dcmu SCHEMBL7279 0.68 APEX1 (1.00) APEX1CYP3A4ALDH1A1LMNARAB9A
Dcmu SCHEMBL29349863 0.68 APEX1 (1.00) APEX1CYP3A4ALDH1A1LMNARAB9A
SCHEMBL9721940 0.68 CYP3A4 (0.43) APEX1CYP3A4ALDH1A1LMNAPOLB
SCHEMBL20038047 0.68 KMT2A (0.42) CYP3A4ALDH1A1POLBKMT2AMEN1
SCHEMBL11758211 0.67 APEX1 (0.67) APEX1CYP3A4ALDH1A1LMNARAB9A
SCHEMBL7667371 0.67 MEN1 (0.49) CYP3A4ALDH1A1LMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
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 (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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 APEX1 2045/4885CYP3A4 144/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 APEX1 2389/4885CYP3A4 910/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 APEX1 2689/4885CYP3A4 236/4885ALDH1A1 475/4885

“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.