SCHEMBL17829905

SCHEMBL17829905

CN(C)CCCNc1nc(-c2cc(-c3ccccc3)cc(C(F)(F)F)c2)nc2cc(S)ccc12

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
MAPK1 P28482 1/20 0.59
RAD52 P43351 4/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 4/20 0.52
TLR9 Q9NR96 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
ACP1 P24666 2/20 0.46
SMARCA2 P51531 1/20 0.45
TRIM58 Q8NG06 2/20 0.44
FLT3 P36888 3/20 0.43
MEN1 O00255 1/20 0.43
PDE5A O76074 1/20 0.43
TOP2A P11388 1/20 0.43
SLC2A1 P11166 1/20 0.42
KDM1A O60341 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
RCOR1 Q9UKL0 1/20 0.42

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
SCHEMBL17829903 0.88 ALDH1A1 (0.49) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17831892 0.86 RAD52 (0.63) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829883 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829945 0.82 ALDH1A1 (0.49) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829576 0.81 RAD52 (0.55) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829579 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829904 0.79 ALDH1A1 (0.51) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829914 0.79 ALDH1A1 (0.47) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17829851 0.77 RAD52 (0.77) ALDH1A1MAPK1RAD52KMT2APOLB
SCHEMBL17831900 0.77 RAD52 (0.54) ALDH1A1MAPK1RAD52KMT2APOLB

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 ALDH1A1 4840/4885MAPK1 192/4885RAD52 1940/4885

“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.