SCHEMBL17829800

SCHEMBL17829800

Cc1cccc2c(NCCCN(C)C)nc(-c3ccc4cc5ccccc5cc4c3)nc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 4/20 0.53
RXFP1 Q9HBX9 1/20 0.53
SMARCA2 P51531 1/20 0.47
TLR9 Q9NR96 1/20 0.47
TOP2A P11388 2/20 0.45
KDM1A O60341 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
SYK P43405 1/20 0.42
TRIM58 Q8NG06 2/20 0.42
SLC2A1 P11166 1/20 0.41
KDR P35968 1/20 0.41
ACP1 P24666 1/20 0.41
FLT3 P36888 1/20 0.41

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
SCHEMBL17829568 0.97 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829798 0.92 POLB (0.53) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17833191 0.87 RAD52 (0.42) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829819 0.86 RAD52 (0.53) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829628 0.85 RAD52 (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829631 0.85 RAD52 (0.53) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829886 0.85 POLB (0.55) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829644 0.84 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829861 0.84 RAD52 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17833264 0.83 ROCK2 (0.56) RAD52KMT2AALDH1A1MAPK1POLB

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 RAD52 1940/4885KMT2A 4559/4885ALDH1A1 4840/4885

“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.