SCHEMBL17829611

SCHEMBL17829611

Cc1cccc2c(=O)[nH]c(-c3ccc4ccccc4c3)nc12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS O95271 16/20 0.72
TNKS2 Q9H2K2 16/20 0.72
PARP1 P09874 12/20 0.72
PARP2 Q9UGN5 4/20 0.67
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL17829732 0.96 TNKS (0.71) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL17829723 0.88 TNKS (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL15775476 0.84 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL17829633 0.84 TNKS (0.53) TNKSTNKS2PARP1PARP2
SCHEMBL17829713 0.83 TNKS (0.67) TNKSTNKS2PARP1PARP2
SCHEMBL15775325 0.83 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL17829629 0.83 TNKS (0.56) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL17829748 0.83 TNKS (0.74) TNKSTNKS2PARP1PARP2
SCHEMBL17829649 0.81 TNKS (0.63) TNKSTNKS2PARP1PARP2
SCHEMBL7566607 0.81 TNKS (1.00) TNKSTNKS2PARP1PARP2NPC1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 TNKS 1771/4885TNKS2 2811/4885PARP1 2477/4885

“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.