SCHEMBL21367598

SCHEMBL21367598

CCNCc1ccc(-n2cc3cc[nH]c3nc2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.38
PARP2 Q9UGN5 2/20 0.38
PARP3 Q9Y6F1 1/20 0.38
P2RX7 Q99572 4/20 0.34
NR3C1 P04150 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL17946565 0.86 P2RX7 (0.33) P2RX7
SCHEMBL17947190 0.86 P2RX7 (0.34) P2RX7
SCHEMBL17946377 0.84 ROCK1 (0.38) PARP1PARP2PARP3P2RX7
SCHEMBL13954 0.83 MC4R (0.39) PARP1P2RX7
SCHEMBL17947197 0.82 ALDH1A1 (0.36) PARP1
SCHEMBL14019 0.81 MPO (0.39) P2RX7
SCHEMBL17946976 0.81 CYP1A2 (0.47)
SCHEMBL17946396 0.81 MLLT1 (0.37)
SCHEMBL17946394 0.80 P2RX7 (0.33) P2RX7
SCHEMBL20019944 0.80 PARP1 (0.37) PARP1PARP2PARP3P2RX7NR3C1

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-10815238-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2020-10-27 US disclosed
US-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2019-09-19 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 (2 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-20190284190-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PARP1 1384/4885PARP2 1743/4885PARP3 1982/4885
US-10815238-B2 Antimicrobial compounds and methods of making and using the same MPO, LPO, CAT PARP1 1384/4885PARP2 1743/4885PARP3 1982/4885

“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.