SCHEMBL17829704

SCHEMBL17829704

Cc1ccc(C)c(C(N)=O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 2/20 0.39
PDE10A Q9Y233 1/20 0.38
PTK2B Q14289 1/20 0.37
SIRT3 Q9NTG7 1/20 0.36
LIMK1 P53667 2/20 0.36
CD44 P16070 1/20 0.36
PKMYT1 Q99640 2/20 0.36
WEE1 P30291 1/20 0.36
MYT1 Q01538 1/20 0.36
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PARP1 P09874 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL31307651 0.85 POLB (0.48) POLBTDP1MAPTSIRT3PKMYT1
SCHEMBL28060147 0.85 PKMYT1 (0.42) POLBPDE10APKMYT1WEE1MYT1
SCHEMBL17825685 0.83 POLB (0.36) POLBTDP1MAPTPTK2BSIRT3
SCHEMBL6741177 0.83 POLB (0.43) POLBMAPTLIMK1PKMYT1ALDH1A1
SCHEMBL6739501 0.83 POLB (0.43) POLBTDP1MAPTLIMK1PKMYT1
SCHEMBL6620704 0.81 KDM4E (0.42) POLBTDP1MAPTPDE10ACD44
SCHEMBL10912988 0.81 HSD17B10 (0.43) POLBTDP1MAPTPDE10ACD44
SCHEMBL31030163 0.81 KDM4E (0.42) POLBTDP1MAPTPDE10ACD44
SCHEMBL27551460 0.79 TDP1 (0.42) POLBTDP1MAPTSIRT3PKMYT1
SCHEMBL1334612 0.78 POLB (0.42) POLBTDP1MAPTSIRT3PKMYT1

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 POLB 1188/4885TDP1 3875/4885MAPT 4581/4885

“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.