SCHEMBL3128751

SCHEMBL3128751

O=C(C1CCN(c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(C(F)(F)F)cc4)cn3)cc2)CC1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CHRM4 P08173 4/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45

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
SCHEMBL3135062 0.90 LIPE (0.57) CHRM2GAASMN1; SMN2CYP3A4CYP2C9
SCHEMBL3131394 0.88 KMT2A (0.49) KMT2AGAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL8925168 0.87 CHRM2 (0.49) CHRM2KMT2AGAASMN1; SMN2CYP3A4
SCHEMBL3016770 0.79 HIF1A (0.52) CHRM2KMT2AGAASMN1; SMN2CYP3A4
SCHEMBL3064269 0.78 STAT3 (0.52) GAASMN1; SMN2ALDH1A1PKMMAPK1
SCHEMBL3138696 0.78 ALDH1A1 (0.48) KMT2AGAASMN1; SMN2CYP3A4MAPT
SCHEMBL12453258 0.78 ALDH1A1 (0.48) KMT2AGAASMN1; SMN2CHRM4ALDH1A1
SCHEMBL3030079 0.74 PRKAA2 (0.63) GAASMN1; SMN2CYP3A4CYP2C9MAPT
SCHEMBL3142751 0.73 PRKAA2 (0.61) GAASMN1; SMN2CYP3A4CYP2C9MAPT
SCHEMBL3061170 0.72 STAT3 (0.64)

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 8 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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 CHRM2 89/4885KMT2A 984/4885GAA 4225/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CHRM2 1955/4885KMT2A 1623/4885GAA 3133/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CHRM2 151/4885KMT2A 2349/4885GAA 3249/4885

“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.