SCHEMBL3009652

SCHEMBL3009652

COc1ccc2cc(Br)cc(C#N)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GLA P06280 2/20 0.46
NQO1 P15559 1/20 0.44
KDM4E B2RXH2 7/20 0.42
CLK1 P49759 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
CASP1 P29466 4/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
MAPK1 P28482 3/20 0.42
CASP7 P55210 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
RXFP1 Q9HBX9 2/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL29971237 0.77 NCOA3 (0.50) MEN1KMT2AGLANQO1KDM4E
SCHEMBL16929703 0.77 NCOA3 (0.50) MEN1KMT2AGLANQO1KDM4E
SCHEMBL4593095 0.77 HTR2A (0.40) NQO1L3MBTL1HSD17B10CYP1A2CYP2A6
SCHEMBL3024523 0.77 CYP1A2 (0.50) MEN1KMT2AGLANQO1KDM4E
SCHEMBL3014632 0.76 PGR (0.52) MEN1KMT2AGLAKDM4EL3MBTL1
SCHEMBL5981297 0.75 ESR1 (0.63) ESRRAESR2
SCHEMBL15201858 0.73 AR (0.47) MEN1KMT2AGLANQO1KDM4E
SCHEMBL30188218 0.73 L3MBTL1 (0.49) MEN1KMT2AGLANQO1KDM4E
SCHEMBL28059768 0.73 L3MBTL1 (0.49) MEN1KMT2AGLANQO1KDM4E
SCHEMBL27626481 0.72 NQO1 (0.49) MEN1KMT2AGLANQO1KDM4E

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 15 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
EP-2131826-A2 17BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 INHIBITORS FOR THE TREATMENT OF HORMONE-DEPENDENT DISEASES Universität des Saarlandes (DE) 2009-12-16 EP disclosed
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 US disclosed
US-7557237-B2 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2009-07-07 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
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
EP-1663929-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE Wyeth (US) 2006-06-07 EP disclosed
WO-2005026105-A2 PROCESS FOR THE SYNTHESIS OF 3-(3-FLUORO-4-HYDROXYPHENYL)-7-HYDROXYNAPHTHONITRILE WYETH (US) 2005-03-24 WO disclosed
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile WYETH (US) 2005-03-10 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 (2 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 MEN1 829/4885KMT2A 2038/4885GLA 750/4885
US-20050054870-A1 Process for the synthesis of 3-(3-fluoro-4-hydroxyphenyl)-7-hydroxynaphthonitrile HRH4, HRH1, HRH3 MEN1 1325/4885KMT2A 3953/4885GLA 4052/4885

“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.