SCHEMBL17829678

SCHEMBL17829678

CCN(CC)CCCC(C)Nc1nc(NCc2cccc(OC)c2)nc2c(Cl)cccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 9/20 0.54
MELK Q14680 1/20 0.51
USP2 O75604 4/20 0.48
TP53 P04637 3/20 0.48
CYP3A4 P08684 3/20 0.48
CASP1 P29466 3/20 0.48
CASP7 P55210 3/20 0.48
HBB P68871 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
BRCA1 P38398 2/20 0.48
HIF1A Q16665 2/20 0.48
NPC1 O15118 1/20 0.48
PRNP P04156 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
ABCB1 P08183 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL17831880 0.77 CCR4 (0.44) CCR4MELKUSP2TP53CYP3A4
SCHEMBL17829670 0.74 CCR4 (0.61) CCR4POLB
SCHEMBL17829643 0.74 CCR4 (0.61) CCR4MELKUSP2TP53CYP3A4
SCHEMBL17829855 0.74 CCR4 (0.63) CCR4MELK
SCHEMBL17829570 0.74 CCR4 (0.60) CCR4MELK
SCHEMBL17829664 0.74 CCR4 (0.62) CCR4POLB
SCHEMBL17830140 0.73 CCR4 (0.54) CCR4
SCHEMBL17829674 0.72 CCR4 (0.51) CCR4MELKCHRM2ADRA2ACHRM1
SCHEMBL17829606 0.72 CCR4 (0.58) CCR4MELK
SCHEMBL17829803 0.70 CCR4 (0.49) CCR4

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 CCR4 4472/4885MELK 1849/4885USP2 3691/4885

“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.