SCHEMBL3131394

SCHEMBL3131394

O=C(C1CCN(c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)CC1)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 5/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
PGR P06401 1/20 0.44
MYD88 Q99836 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2C19 P33261 1/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
FAAH O00519 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL3138696 0.89 ALDH1A1 (0.48) KMT2APOLBALDH1A1LMNATSHR
SCHEMBL3128751 0.88 CHRM2 (0.47) KMT2APOLBALDH1A1LMNATSHR
SCHEMBL3138695 0.81 ALDH1A1 (0.43) KMT2APOLBALDH1A1LMNATSHR
SCHEMBL3135150 0.81 LMNA (0.46) KMT2AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3067046 0.78 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2MAPK1GAA
SCHEMBL12453258 0.78 ALDH1A1 (0.48) KMT2APOLBALDH1A1LMNATSHR
SCHEMBL3135062 0.78 LIPE (0.57) POLBALDH1A1SMN1; SMN2GAACYP2C19
SCHEMBL3031846 0.77 MAPT (0.48) KMT2ALMNATSHRSMN1; SMN2MAPK1
SCHEMBL8925168 0.76 CHRM2 (0.49) KMT2AALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL3022904 0.74 LMNA (0.55) KMT2APOLBALDH1A1LMNASMN1; SMN2

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
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
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP 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
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 KMT2A 984/4885POLB 4226/4885ALDH1A1 565/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885POLB 3851/4885ALDH1A1 265/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885POLB 2808/4885ALDH1A1 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.