SCHEMBL3016129

SCHEMBL3016129

COc1cccc(-c2ccc3c(C(=O)Nc4nnc(C)s4)c(OC)ccc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.61
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RXFP1 Q9HBX9 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3021168 0.83 HSD17B1 (0.60) NPC1RAB9ASMN1; SMN2KDM4EHSD17B1
SCHEMBL3015227 0.81 TRPV1 (0.55) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13210870 0.81 HSD17B1 (0.51) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3014831 0.81 PLAU (0.57) NPC1RAB9ASMN1; SMN2KDM4EHSD17B1
SCHEMBL3015172 0.80 HSD17B1 (0.67) HSD17B1HSD17B2CYP1A2CYP3A4CYP2D6
SCHEMBL3024893 0.78 HSD17B1 (0.46) SMN1; SMN2KDM4EHSD17B1HSD17B2CYP1A2
SCHEMBL3015859 0.78 TP53 (0.48) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3019201 0.78 ALDH1A1 (0.57) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9713159 0.77 TP53 (1.00) TP53NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3015936 0.77 HSD17B1 (0.56) KDM4EHSD17B1HSD17B2CYP1A2CYP3A4

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 7 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-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-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
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
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
WO-2008116920-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2008-10-02 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-20100204234-A1 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases HSD17B1, HSD17B11, HSD17B2 TP53 3105/4885NPC1 1110/4885RAB9A 3773/4885

“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.