SCHEMBL5354075

SCHEMBL5354075

O=C1CC=C(c2ccccc2)c2ccccc2N1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
CES2 O00748 1/20 0.47
BCHE P06276 1/20 0.47
CES1 P23141 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.44
PKM P14618 1/20 0.41
TLR9 Q9NR96 1/20 0.41
PDE6D O43924 1/20 0.39
GFER P55789 1/20 0.39
NR1H2 P55055 1/20 0.39
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
PDE4D Q08499 1/20 0.37

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
SCHEMBL6919772 0.79 GABRA1 (0.54) ALDH1A1CES1HPGDMAPTOPRK1
SCHEMBL5138581 0.78 GABRA1 (0.52) ALDH1A1CES1HPGDMAPTOPRK1
SCHEMBL17988732 0.76 CCKBR (0.38) GAANPSR1MGLLNR1H2
SCHEMBL15206968 0.71 KMT2A (0.68) MEN1KMT2AALDH1A1GAACES2
SCHEMBL28873124 0.69 PTPN1 (0.47) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL4422153 0.68 HPGD (0.74) MEN1KMT2AALDH1A1GAACES2
SCHEMBL11884738 0.68 MEN1 (0.54) MEN1KMT2AALDH1A1GAACES2
SCHEMBL7154016 0.67 MGLL (0.63) MEN1KMT2AALDH1A1GAACES2
SCHEMBL23340374 0.66 GAA (0.38) MEN1KMT2AALDH1A1GAACES2
Phenyl Isatin SCHEMBL916808 0.65 CES1 (1.00) MEN1KMT2AALDH1A1GAACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238685-B2 Benzo-fused heterocycles as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-03 US disclosed
US-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits ACTELION PHARMACEUTICALS LTD. 2005-06-09 US 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 MEN1 1304/4885KMT2A 3442/4885ALDH1A1 3710/4885

“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.