SCHEMBL8925982

SCHEMBL8925982

CN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Oc2ccc(CN3CCN(C(=O)c4ccncc4)CC3)cc2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.49
HRH3 Q9Y5N1 5/20 0.48
PRKAA2 P54646 1/20 0.47
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
F10 P00742 2/20 0.43
LMNA P02545 1/20 0.43
OPRK1 P41145 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 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
SCHEMBL3137270 0.81 SIGMAR1 (0.59) LSSPRKAA2KDM4ESMN1; SMN2LMNA
SCHEMBL3142882 0.76 FFAR1 (0.48) LMNA
Bromide SCHEMBL3064130 0.74 STAT3 (0.44) HRH3PRKAA2
SCHEMBL3139468 0.74 PRKAA2 (0.53) HRH3PRKAA2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3146712 0.73 CYP4F2 (0.40) SMN1; SMN2TSHR
SCHEMBL3142939 0.73 LMNA (0.48) KDM4ESMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL3147170 0.73 MAPK1 (0.52) HRH3PRKAA2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8220138 0.72 PRKAA2 (0.57) HRH3PRKAA2SMN1; SMN2
SCHEMBL3035668 0.72 PRKAA2 (0.58) HRH3PRKAA2KDM4ESMN1; SMN2ALDH1A1
Bromide SCHEMBL3062612 0.69 STAT3 (0.46) HRH3PRKAA2

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 11 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-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 LSS 2355/4885HRH3 39/4885PRKAA2 4793/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LSS 1321/4885HRH3 25/4885PRKAA2 4098/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LSS 2474/4885HRH3 74/4885PRKAA2 4856/4885

“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.