SCHEMBL3015306

SCHEMBL3015306

COc1ccc(-c2ccc3c(C(=O)Nc4ncccn4)c(OC)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.47
PLAU P00749 2/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MMP3 P08254 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
MAPT P10636 2/20 0.42
F2 P00734 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
FDPS P14324 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL13210870 0.91 HSD17B1 (0.51) SIRT2PLAUCYP1A2CYP3A4HSD17B1
SCHEMBL3015302 0.86 ADORA3 (0.45) SIRT2POLBABL1ADORA3
SCHEMBL3021168 0.77 HSD17B1 (0.60) SIRT2HSD17B1HSD17B2MAPTKDM4E
SCHEMBL3015227 0.76 TRPV1 (0.55) PLAUCYP1A2POLBCYP3A4HSD17B1
SCHEMBL3014831 0.76 PLAU (0.57) PLAUCYP1A2POLBCYP3A4HSD17B1
SCHEMBL3019201 0.75 ALDH1A1 (0.57) SIRT2CYP1A2CYP3A4MAPTKDM4E
SCHEMBL14052639 0.75 ERN1 (0.43) PLAUCYP1A2POLBCYP3A4HSD17B1
SCHEMBL3015172 0.74 HSD17B1 (0.67) SIRT2PLAUCYP1A2CYP3A4HSD17B1
SCHEMBL3016129 0.72 TP53 (0.61) CYP1A2CYP3A4HSD17B1HSD17B2KDM4E
SCHEMBL14052510 0.72 HPGD (0.55) PLAUCYP1A2CYP3A4MMP3HSD17B1

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 SIRT2 1030/4885PLAU 2330/4885CYP1A2 87/4885

“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.