SCHEMBL2927329

SCHEMBL2927329

COC(=O)C(=O)C(Cl)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 3/20 0.51
ALOX5 P09917 1/20 0.51
HIF1A Q16665 1/20 0.50
NR4A2 P43354 1/20 0.50
SMPD1 P17405 1/20 0.49
MEN1 O00255 1/20 0.48
BCHE P06276 1/20 0.48
PTGES O14684 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47
PTPN1 P18031 1/20 0.47
ACACB O00763 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL25311665 0.87 KMT2A (0.57) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL31070956 0.87 KMT2A (0.57) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL269814 0.81 L3MBTL1 (0.49) KMT2ASMN1; SMN2MEN1
SCHEMBL3485036 0.81 KMT2A (0.56) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL11361195 0.79 KMT2A (0.40) KMT2AMEN1
SCHEMBL2853880 0.78 ALOX5 (0.63) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL9019941 0.78 KMT2A (0.59) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL9432429 0.78 KMT2A (0.59) KMT2ASMN1; SMN2MAOBALOX5NR4A2
SCHEMBL496468 0.78 KMT2A (0.50) KMT2A
SCHEMBL3609023 0.77 KMT2A (0.64) KMT2ASMN1; SMN2MAOBALOX5NR4A2

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-2079690-B1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-09-15 EP disclosed
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
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US 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
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 KMT2A 1003/4885SMN1; SMN2 3816/4885MAOB 237/4885

“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.