SCHEMBL14755328

SCHEMBL14755328

COc1cc2c(cc1OCc1ccccc1)C=NCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.54
REV1 Q9UBZ9 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
RCE1 Q9Y256 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PDE4B Q07343 1/20 0.43

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
SCHEMBL3049706 1.00 CHRNA7 (0.54) CHRNA7REV1KDM4EGLARCE1
Hydrochloric Acid SCHEMBL30842786 0.99 CHRNA7 (0.53) CHRNA7REV1KDM4EGLARCE1
Hydrochloric Acid SCHEMBL28460391 0.99 CHRNA7 (0.53) CHRNA7REV1KDM4EGLARCE1
SCHEMBL22997884 0.90 AOC3 (0.43) CHRNA7KDM4EMAPK1HSD17B10
SCHEMBL31268130 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL251439 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL17144907 0.82 MAOA (0.47) CHRNA7KDM4EGLARCE1HSD17B10
SCHEMBL28933503 0.81 PDE4D (0.44) KDM4EGLAMAPK1HSD17B10
SCHEMBL30019618 0.81 PDE4D (0.44) KDM4EGLAMAPK1HSD17B10
Hydrochloric Acid SCHEMBL4772044 0.80 MAOA (0.46) CHRNA7KDM4EGLARCE1HSD17B10

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-8552028-B2 8-phenylisoquinolines and pharmaceutical composition used in treatment for sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-10-08 US disclosed
US-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis NATIONAL TAIWAN UNIVERSITY (TW) 2013-03-07 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-20130059882-A1 8-Phenylisoquinolines And Pharmaceutical Composition Used In Treatment For Sepsis CXCL8, THPO, IL18 CHRNA7 2982/4885REV1 3779/4885KDM4E 3539/4885

“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.