SCHEMBL3015302

SCHEMBL3015302

COc1ccccc1-c1ccc2c(C(=O)Nc3ncccn3)c(OC)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.45
ABL1 P00519 4/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
TNKS2 Q9H2K2 1/20 0.41
DHFR P00374 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.41
SCN9A Q15858 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHODH Q02127 1/20 0.41
POLB P06746 1/20 0.41
WNT3A P56704 1/20 0.41

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
SCHEMBL3015306 0.86 SIRT2 (0.47) ADORA3ABL1SIRT2POLB
SCHEMBL13210870 0.84 HSD17B1 (0.51) ADORA3ABL1HDAC6SIRT2PIK3CG
SCHEMBL3015227 0.71 TRPV1 (0.55) MEN1NPC1TP53GAARAB9A
SCHEMBL3014831 0.70 PLAU (0.57) ADORA3MEN1NPC1GAARAB9A
SCHEMBL3021168 0.69 HSD17B1 (0.60) SIRT2MEN1NPC1GAARAB9A
SCHEMBL3020132 0.69 CYP19A1 (0.59) TNKS2DHFRMEN1NPC1TP53
SCHEMBL3008244 0.68 SIRT2 (0.53) SIRT2
SCHEMBL3019201 0.68 ALDH1A1 (0.57) SIRT2MEN1NPC1TP53GAA
SCHEMBL5023244 0.67 PARP1 (0.50) ABL1TNKS2DHFRGAADHODH
SCHEMBL3015172 0.67 HSD17B1 (0.67) ADORA3SIRT2DHODH

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-8546392-B2 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases UNIVERSITAET DES SAARLANDES (DE) 2013-10-01 US disclosed
US-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases UNIVERSITAET DES SAARLANDES (DE) 2010-08-12 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 ADORA3 4404/4885ABL1 3159/4885HDAC6 2165/4885

“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.