SCHEMBL17829633

SCHEMBL17829633

O=c1[nH]c(-c2ccc3ccccc3c2)nc2c(Br)cccc12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNKS O95271 19/20 0.53
TNKS2 Q9H2K2 19/20 0.53
PARP1 P09874 13/20 0.53
PARP2 Q9UGN5 5/20 0.53
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 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
SCHEMBL17829611 0.84 TNKS (0.72) TNKSTNKS2PARP1PARP2
SCHEMBL17829629 0.83 TNKS (0.56) TNKSTNKS2PARP1PARP2
SCHEMBL17829732 0.80 TNKS (0.71) TNKSTNKS2PARP1PARP2
SCHEMBL29784025 0.79 TNKS (0.71) TNKSTNKS2PARP1PARP2CYP1A1
SCHEMBL4505299 0.79 TNKS (0.71) TNKSTNKS2PARP1PARP2CYP1A1
SCHEMBL17829759 0.77 HPGD (0.54) TNKSTNKS2PARP1PARP2
SCHEMBL17829713 0.75 TNKS (0.67) TNKSTNKS2PARP1PARP2
SCHEMBL17829731 0.74 TNKS (0.54) TNKSTNKS2PARP1PARP2CYP1A1
SCHEMBL17829723 0.73 TNKS (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL27961710 0.70 TNKS (0.55) TNKSTNKS2PARP1PARP2CYP1A1

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.