SCHEMBL17829798

SCHEMBL17829798

Cc1cccc2c(NCCCN(C)C)nc(-c3ccc4cc(Cl)c(Cl)cc4c3)nc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
RAD52 P43351 4/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
KDR P35968 1/20 0.44
SMARCA2 P51531 1/20 0.43
TLR9 Q9NR96 1/20 0.43
SLC2A1 P11166 1/20 0.42
SYK P43405 1/20 0.41
TOP2A P11388 1/20 0.41
FLT3 P36888 1/20 0.40
MEN1 O00255 1/20 0.39
TRIM58 Q8NG06 2/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL17829800 0.92 RAD52 (0.58) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829886 0.92 POLB (0.55) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829568 0.91 RAD52 (0.59) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829817 0.89 RAD52 (0.55) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17833189 0.88 KMT2A (0.39) POLBRAD52KMT2AALDH1A1KDR
SCHEMBL17830139 0.85 RAD52 (0.57) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829813 0.84 RAD52 (0.56) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829858 0.84 RAD52 (0.49) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829853 0.83 RAD52 (0.53) POLBRAD52KMT2AALDH1A1MAPK1
SCHEMBL17829861 0.82 RAD52 (0.59) POLBRAD52KMT2AALDH1A1MAPK1

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-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

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 POLB 1188/4885RAD52 1940/4885KMT2A 4559/4885

“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.