SCHEMBL17829965

SCHEMBL17829965

Cc1cccc2c(NCCCN(C)C)nc(-c3cc(N4CCN(Cc5ccccc5)CC4)cc(C(F)(F)F)c3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.43
KMT2A Q03164 1/20 0.43
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM1A O60341 4/20 0.41
EHMT2 Q96KQ7 3/20 0.41
POLB P06746 2/20 0.41
DRD2 P14416 3/20 0.41
ADRA1A P35348 3/20 0.41
DRD3 P35462 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
RCOR1 Q9UKL0 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TERT O14746 3/20 0.37

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
SCHEMBL17829860 0.87 KCNH2 (0.47) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829872 0.83 RAD52 (0.52) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829576 0.82 RAD52 (0.55) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829869 0.81 POLB (0.50) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829573 0.81 RAD52 (0.54) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829875 0.80 RAD52 (0.48) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829844 0.79 RAD52 (0.48) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829839 0.79 RAD52 (0.50) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829836 0.79 RAD52 (0.48) RAD52KMT2ATLR9ALDH1A1MAPK1
SCHEMBL17829881 0.79 RAD52 (0.47) RAD52KMT2ATLR9ALDH1A1MAPK1

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 RAD52 1940/4885KMT2A 4559/4885TLR9 105/4885

“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.