SCHEMBL5356267

SCHEMBL5356267

Cc1cccc(C2=NCC(=O)Nc3ccccc32)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.72
GABRA5 P31644 7/20 0.72
GABRA3 P34903 7/20 0.72
GABRA2 P47869 7/20 0.72
GABRB2 P47870 6/20 0.72
GABRG2 P18507 5/20 0.72
GABRB3 P28472 5/20 0.72
KMT2A Q03164 1/20 0.57
PDE4D Q08499 2/20 0.55
CNR1 P21554 1/20 0.55
NTSR1 P30989 1/20 0.55
OPRK1 P41145 1/20 0.55
LMNA P02545 2/20 0.51
HPGD P15428 1/20 0.51
CHRM1 P11229 1/20 0.49
GABRP O00591 3/20 0.48
GABRD O14764 3/20 0.48
GABRB1 P18505 3/20 0.48
GABRA4 P48169 3/20 0.48
GABRE P78334 3/20 0.48

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
Ro-052921 SCHEMBL1365706 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
Ro-052921 SCHEMBL29979594 0.84 GABRA1 (1.00) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL7832057 0.84 GABRA1 (0.72) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL11821347 0.82 CHRM1 (0.71) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL28124939 0.82 GABRA1 (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5350970 0.82 GABRA1 (0.68) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5356638 0.81 GABRA1 (0.63) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL15628157 0.81 CNR1 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL18055722 0.81 GABRA1 (0.46) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL2615411 0.76 GABRA1 (0.78) GABRA1GABRA5GABRA3GABRA2GABRB2

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 3 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
WO-2003013545-A1 NOVEL BENZO-FUSED HETEROCYCLES AS ENDOTHELIN ANTAGONISITS ACTELION PHARMACEUTICALS LTD (CH) 2003-02-20 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-20050124605-A1 Novel benzo-fused heterocycles as endothelin antagonisits EDNRA, EDNRB, ECE1 GABRA1 41/4885GABRA5 38/4885GABRA3 65/4885

“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.