SCHEMBL17831900

SCHEMBL17831900

CN(C)CCCNc1nc(-c2cccc(-c3cc(C(F)(F)F)ccc3F)c2)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 5/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 4/20 0.49
RXFP1 Q9HBX9 1/20 0.45
KCNH2 Q12809 1/20 0.44
TLR9 Q9NR96 1/20 0.44
FLT3 P36888 3/20 0.43
ACP1 P24666 2/20 0.41
SYK P43405 1/20 0.41
SMARCA2 P51531 1/20 0.40
SLC2A1 P11166 1/20 0.39
KDM1A O60341 1/20 0.39
EHMT2 Q96KQ7 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39

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
SCHEMBL17829847 0.95 RAD52 (0.58) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17833241 0.89 SYK (0.42) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17831892 0.89 RAD52 (0.63) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829975 0.88 RAD52 (0.48) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829814 0.87 RAD52 (0.49) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829900 0.80 RAD52 (0.48) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829811 0.80 RAD52 (0.49) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17831887 0.78 CCR4 (0.55) FLT3
SCHEMBL17829905 0.77 ALDH1A1 (0.59) RAD52KMT2AALDH1A1MAPK1POLB
SCHEMBL17829956 0.76 SYK (0.47) RAD52KMT2AALDH1A1RXFP1SYK

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 1 patent. 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

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.