SCHEMBL3019201

SCHEMBL3019201

COc1cccc(-c2ccc3c(C(=O)Nc4cccnc4)c(OC)ccc3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
MCL1 Q07820 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TSHR P16473 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 2/20 0.52
IRAK4 Q9NWZ3 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49

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
SCHEMBL3015227 0.89 TRPV1 (0.55) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3014831 0.88 PLAU (0.57) MEN1KMT2ASMN1; SMN2KDM4ENPC1
SCHEMBL13210870 0.84 HSD17B1 (0.51) SIRT2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3015172 0.81 HSD17B1 (0.67) SIRT2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL3021168 0.80 HSD17B1 (0.60) ALDH1A1MEN1KMT2ASIRT2SMN1; SMN2
SCHEMBL3016129 0.78 TP53 (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3015936 0.77 HSD17B1 (0.56) ALDH1A1KDM4ELMNAHSD17B10CYP1A2
SCHEMBL3024893 0.77 HSD17B1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3015306 0.75 SIRT2 (0.47) ALDH1A1SIRT2KDM4EMAPTCYP1A2
SCHEMBL16495668 0.72 ALDH1A1 (0.69) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E

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 ALDH1A1 52/4885MEN1 829/4885KMT2A 2038/4885

“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.