SCHEMBL3147170

SCHEMBL3147170

O=C(c1ccc(Oc2ccc(Sc3ccc(Cl)c(Cl)c3)cn2)cc1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
PKM P14618 1/20 0.52
HRH3 Q9Y5N1 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.50
PRKAA2 P54646 2/20 0.49
OPRM1 P35372 2/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
PRKAB2 O43741 1/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAA1 Q13131 1/20 0.48
PRKAG3 Q9UGI9 1/20 0.48
PRKAG2 Q9UGJ0 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
NPC1 O15118 1/20 0.48
BCHE P06276 1/20 0.47

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
SCHEMBL3035668 0.83 PRKAA2 (0.58) MAPK1PKMHRH3SMN1; SMN2KDM4E
SCHEMBL3139468 0.82 PRKAA2 (0.53) MAPK1PKMHRH3SMN1; SMN2KDM4E
SCHEMBL3143725 0.80 PKM (0.61) MAPK1PKMHRH3SMN1; SMN2KDM4E
SCHEMBL3143111 0.76 PRKAA2 (0.50) HRH3PRKAA2OPRM1OPRD1OPRK1
SCHEMBL8925982 0.73 LSS (0.49) HRH3SMN1; SMN2KDM4ELMNAALDH1A1
SCHEMBL8220138 0.73 PRKAA2 (0.57) HRH3SMN1; SMN2PRKAA2PRKAB2PRKAG1
SCHEMBL3690861 0.73 OPRM1 (0.76) OPRM1OPRD1OPRK1
SCHEMBL3030079 0.72 PRKAA2 (0.63) SMN1; SMN2LMNAGAAPRKAA2PRKAB2
SCHEMBL5649953 0.71 MGLL (0.56) MAPK1ALDH1A1OPRM1OPRD1OPRK1
SCHEMBL3142751 0.71 PRKAA2 (0.61) SMN1; SMN2LMNAGAAPRKAA2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP 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-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-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAPK1 1289/4885PKM 2836/4885HRH3 39/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAPK1 219/4885PKM 4362/4885HRH3 25/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAPK1 2765/4885PKM 3868/4885HRH3 74/4885

“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.