SCHEMBL2928657

SCHEMBL2928657

COC(=O)c1nc(N)sc1-c1cccc(C)c1.[N]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 5/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
HSD17B10 Q99714 2/20 0.71
HPGD P15428 2/20 0.71
PKM P14618 3/20 0.64
RCE1 Q9Y256 1/20 0.64
L3MBTL1 Q9Y468 3/20 0.61
GAA P10253 3/20 0.45
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.42
GRM6 O15303 1/20 0.41
GRM5 P41594 1/20 0.41
F2 P00734 1/20 0.41
PLAU P00749 1/20 0.41
ELANE P08246 1/20 0.41
CISD2 Q8N5K1 1/20 0.40

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
SCHEMBL496473 0.99 KDM4E (0.73) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL270026 0.85 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL982083 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL984899 0.85 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496405 0.85 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1339928 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496585 0.84 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL496802 0.84 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL926725 0.82 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD
SCHEMBL1964753 0.82 KDM4E (0.70) KDM4EALDH1A1SMN1; SMN2HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 EP disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 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 (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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 735/4885ALDH1A1 702/4885SMN1; SMN2 3816/4885

“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.