SCHEMBL1338488

SCHEMBL1338488

COC(=O)c1nc(C)sc1-c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 3/20 0.46
RCE1 Q9Y256 1/20 0.46
HCRTR1 O43613 6/20 0.45
HCRTR2 O43614 6/20 0.45
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.45
ELANE P08246 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TSHR P16473 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
SCHEMBL270026 0.86 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2925296 0.85 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1339610 0.85 HCRTR1 (0.47) SMN1; SMN2HCRTR1HCRTR2KMT2ATSHR
SCHEMBL269910 0.84 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL924923 0.84 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL270516 0.84 HCRTR1 (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL269345 0.84 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL923728 0.83 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496791 0.83 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL1141638 0.82 HCRTR1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 US disclosed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP disclosed
US-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-08-12 US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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-20100204285-A1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 KDM4E 1778/4885ALDH1A1 747/4885SMN1; SMN2 4025/4885

“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.