SCHEMBL3138696

SCHEMBL3138696

O=C(C1CCN(c2ccc(Oc3ccc(NS(=O)(=O)c4ccc(Cl)c(Cl)c4)cn3)cc2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
LMNA P02545 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 1/20 0.46
USP2 O75604 3/20 0.46
PKM P14618 1/20 0.46
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RAB9A P51151 1/20 0.43
CYP3A4 P08684 2/20 0.42
ABCB11 O95342 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRA2A P08913 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
SCHEMBL3138695 0.91 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3131394 0.89 KMT2A (0.49) ALDH1A1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3022904 0.86 LMNA (0.55) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3045821 0.81 LMNA (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3069882 0.80 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3147307 0.80 MEN1 (0.57) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3032991 0.80 KMT2A (0.48) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3128751 0.78 CHRM2 (0.47) ALDH1A1KMT2ALMNASMN1; SMN2POLB
SCHEMBL3138742 0.78 SMN1; SMN2 (0.52) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL5183212 0.77 LMNA (0.52) ALDH1A1KMT2AMEN1LMNASMN1; 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 ALDH1A1 565/4885KMT2A 984/4885MEN1 1020/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885KMT2A 1623/4885MEN1 1851/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885KMT2A 2349/4885MEN1 3512/4885

“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.