SCHEMBL5986930

SCHEMBL5986930

Cc1ccc(C(=O)N2CCC(Oc3ccccc3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
KCNA5 P22460 1/20 0.51
ALDH1A1 P00352 3/20 0.50
NAMPT P43490 1/20 0.50
HPGD P15428 1/20 0.48
HIF1A Q16665 1/20 0.48
SRD5A1 P18405 1/20 0.48
HTT P42858 1/20 0.48
ACHE P22303 1/20 0.48
PKM P14618 1/20 0.48
RIPK1 Q13546 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL12442639 0.90 NAMPT (0.57) EPHX2LMNAALDH1A1NAMPTSRD5A1
SCHEMBL12442709 0.88 ALDH1A1 (0.65) LMNAKMT2AALDH1A1HPGDHIF1A
SCHEMBL2220012 0.84 ALDH1A1 (0.60) EPHX2LMNAALDH1A1NAMPTHPGD
SCHEMBL2220004 0.84 ALDH1A1 (0.60) EPHX2LMNAALDH1A1NAMPTHPGD
SCHEMBL12516082 0.82 POLB (0.62) LMNAKMT2AALDH1A1HPGDHIF1A
SCHEMBL28278841 0.82 EPHX2 (0.54) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL15473451 0.82 KMT2A (0.57) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL12947988 0.82 KMT2A (0.57) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL14597201 0.82 ACHE (0.61) EPHX2LMNAKMT2AMEN1ALDH1A1
SCHEMBL692762 0.82 NAMPT (0.53) LMNAKMT2AALDH1A1NAMPTSRD5A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP 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 (1 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 EPHX2 926/4885LMNA 1964/4885KMT2A 1812/4885

“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.