SCHEMBL17829676

SCHEMBL17829676

COC(=O)c1ccc(-c2nc3c(Cl)cccc3c(=O)[nH]2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 16/20 0.67
TNKS2 Q9H2K2 15/20 0.64
PARP1 P09874 11/20 0.64
PARP2 Q9UGN5 5/20 0.57
RHEB Q15382 1/20 0.54
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL11086311 0.81 TNKS (0.74) TNKSTNKS2PARP1PARP2
SCHEMBL17830142 0.81 TNKS (0.70) TNKSTNKS2PARP1PARP2
SCHEMBL17829672 0.79 TNKS (0.68) TNKSTNKS2PARP1PARP2
SCHEMBL16964257 0.78 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL4909019 0.77 RHEB (0.57) TNKSTNKS2RHEBKDM4ENPC1
SCHEMBL16965178 0.76 TNKS (0.64) TNKSTNKS2PARP1PARP2RHEB
SCHEMBL1852290 0.76 TNKS (0.63) TNKSTNKS2KDM4ENPC1ALDH1A1
SCHEMBL17942020 0.74 TNKS (0.67) TNKSTNKS2PARP1PARP2RHEB
SCHEMBL5371438 0.74 TNKS (0.67) TNKSTNKS2PARP1RHEBKDM4E
SCHEMBL3084527 0.73 RHEB (0.56) TNKSTNKS2RHEBKDM4ENPC1

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.