SCHEMBL6457858

SCHEMBL6457858

COc1cc(C2=NCCN2)cc2cc(-c3cccc(C4=NCCN4)c3)oc12

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 10/20 0.54
▸ MAOB P27338 5/20 0.47
▸ MAOA P21397 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ ADRA2A P08913 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42

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
SCHEMBL5027954 0.89 MAOB (0.56) NISCHMAOBMAOAKDM4EALDH1A1
SCHEMBL5033131 0.78 PRMT1 (0.62) NISCHMAOBMAOAKDM4EALDH1A1
SCHEMBL26125464 0.76 NISCH (0.67) NISCHMAOBKDM4E
SCHEMBL5030461 0.75 PRMT1 (0.64) NISCHMAOBMAOAKDM4EALDH1A1
SCHEMBL8196401 0.75 NISCH (0.74) NISCHMAOBMAOAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8202584 0.75 MAOB (0.41) NISCHMAOBMAOAKDM4EALDH1A1
SCHEMBL8187860 0.75 ADRA2A (0.48) NISCHKDM4EADRA2AADRA2BADRA2C
SCHEMBL8199611 0.74 NISCH (0.63) NISCHMAOBADRA2AADRA2BADRA2C
SCHEMBL9189709 0.73 NISCH (0.85) NISCHMAOB
SCHEMBL8200480 0.73 NISCH (0.44) NISCHMAOBMAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents TIDWELL RICHARD R (US) 2005-09-08 — — 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-20050197378-A1 Cationic substituted benzofurans as antimicrobial agents BET1, ARG2, BRDT NISCH 501/4885MAOB 2348/4885MAOA 2700/4885

“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.

Send feedback