SCHEMBL7001370

SCHEMBL7001370

NC(=O)c1cccc2c1NCC(NC(=O)O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
EPHX2 P34913 1/20 0.40
PARP1 P09874 7/20 0.39
SMYD3 Q9H7B4 2/20 0.35
HSPA1A P0DMV8 1/20 0.35
HSPA8 P11142 1/20 0.35
CD44 P16070 1/20 0.35
MSN P26038 1/20 0.35
PTPN7 P35236 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TP53 P04637 1/20 0.34
PLK4 O00444 1/20 0.33
MAPK13 O15264 1/20 0.33
DYRK3 O43781 1/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33

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
SCHEMBL7344228 0.83 EPHX2 (0.41) EPHX2HDAC8MAPK1NPC1LMNA
SCHEMBL429344 0.74 EPHX2 (0.66) EPHX2HDAC8MAPK1GRM7
SCHEMBL9851524 0.69 GRM7 (0.59) NPC1LMNARAB9AGRM7
SCHEMBL3384120 0.68 AURKA (0.50) AURKAPARP1MAPK1DYRK1ACLK4
SCHEMBL22469548 0.68 GRM7 (0.44) EPHX2NPC1LMNARAB9AGRM7
SCHEMBL7694131 0.68 GRM7 (0.44) EPHX2NPC1LMNARAB9AGRM7
SCHEMBL5535285 0.66 SRC (0.50) AURKAPARP1MAPK1DYRK1ACLK4
SCHEMBL25330218 0.66 EPHX2 (0.46) EPHX2HDAC8MAPK1
SCHEMBL10615395 0.65 KDM4E (0.48) NPC1LMNARAB9AGRM7
SCHEMBL21880462 0.65 HCAR2 (0.38) PIM1PRKACACLK2GSK3AROCK1

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-20030105118-A1 Tricyclic quinazolinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-06-05 US disclosed
EP-1288216-A1 TRICYCLIC QUINAZOLINEDIONES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-03-05 EP 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-20030105118-A1 Tricyclic quinazolinediones PARP1, PARP11, PARP2 AURKA 1740/4885EPHX2 3431/4885PARP1 1/4885

“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.