SCHEMBL3143323

SCHEMBL3143323

COCOC1CCN(c2ccc(Oc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MAPT P10636 8/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 5/20 0.47
NR4A1 P22736 1/20 0.47
MCL1 Q07820 1/20 0.47
MEN1 O00255 5/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 4/20 0.46
USP2 O75604 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
RAF1 P04049 1/20 0.45
PKM P14618 2/20 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
SCHEMBL3142457 0.84 MAPT (0.50) KMT2AMAPTRAB9AALDH1A1NR4A1
SCHEMBL3143052 0.81 MAPT (0.49) KMT2AMAPTRAB9AALDH1A1MCL1
SCHEMBL3143408 0.74 MAPT (0.63) KMT2AMAPTRAB9AALDH1A1MEN1
SCHEMBL14496837 0.74 MAPT (0.52) KMT2AMAPTRAB9AALDH1A1MEN1
SCHEMBL8925971 0.73 GRIN1 (0.58) KMT2AMAPTALDH1A1LMNANPC1
SCHEMBL1665272 0.73 MAPT (0.61) KMT2AMAPTRAB9AALDH1A1NR4A1
SCHEMBL4714394 0.72 MEN1 (0.61) KMT2AMAPTRAB9AALDH1A1MEN1
SCHEMBL16701630 0.71 UTS2R (0.55) KMT2AMAPTRAB9AMEN1NPC1
SCHEMBL4251946 0.71 TAS1R3 (0.74) KMT2AMAPTRAB9AALDH1A1MEN1
SCHEMBL8924661 0.71 MAPT (0.69) KMT2AMAPTRAB9AALDH1A1MEN1

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
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

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 984/4885MAPT 4315/4885RAB9A 2782/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MAPT 4866/4885RAB9A 2323/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MAPT 4163/4885RAB9A 3123/4885

“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.