SCHEMBL8084337

SCHEMBL8084337

COc1nc(C)c(-c2cccc(C)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TP53 P04637 2/20 0.40
RAB9A P51151 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MAPK14 Q16539 4/20 0.39
USP2 O75604 1/20 0.39
ACHE P22303 1/20 0.39
GAK O14976 1/20 0.39

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
SCHEMBL11916730 0.84 F2RL3 (0.50) ALOX5ALDH1A1MEN1KMT2ARAB9A
SCHEMBL13201797 0.84 F2RL3 (0.50) MEN1KMT2ATP53KDM4EMAPT
SCHEMBL1340540 0.80 PIN1 (0.49) ALDH1A1HSD17B10KDM4ESMN1; SMN2HPGD
SCHEMBL327353 0.80 RAB9A (0.51) ALOX5ALDH1A1MEN1KMT2ATP53
SCHEMBL8089275 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL9954402 0.77 KMT2A (0.47) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL8083511 0.77 MEN1 (0.54) ALDH1A1MEN1KMT2ARAB9AHSD17B10
SCHEMBL8205308 0.74 MAPK14 (0.62) MAPK14
SCHEMBL7946636 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL12728512 0.73 ALOX5 (0.46) ALOX5ALDH1A1MEN1KMT2ARAB9A

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-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 US disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 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 ALOX5 511/4885ALDH1A1 702/4885MEN1 956/4885

“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.