SCHEMBL8916375

SCHEMBL8916375

CN1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.72
MEN1 O00255 4/20 0.72
LMNA P02545 6/20 0.70
ALDH1A1 P00352 9/20 0.67
GAA P10253 2/20 0.67
KDM4E B2RXH2 2/20 0.67
SMN1; SMN2 Q16637 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.64
MAPK1 P28482 1/20 0.64
TSHR P16473 3/20 0.61
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
USP2 O75604 1/20 0.60
MAPT P10636 1/20 0.60

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
SCHEMBL8917314 0.90 KMT2A (0.74) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL15692575 0.87 KMT2A (0.70) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL8917668 0.87 ALDH1A1 (0.71) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL14456888 0.86 KMT2A (0.71) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL24283105 0.84 SMN1; SMN2 (0.60) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL8916206 0.84 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL8913921 0.83 KMT2A (0.69) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL8919342 0.82 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL25138819 0.81 POLB (0.72) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL8917304 0.81 ALDH1A1 (0.69) KMT2AMEN1LMNAALDH1A1KDM4E

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 12 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-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-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-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-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
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 984/4885MEN1 1020/4885LMNA 2721/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 KMT2A 1623/4885MEN1 1851/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 KMT2A 2349/4885MEN1 3512/4885LMNA 1091/4885

“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.