SCHEMBL4014804

SCHEMBL4014804

Brc1ccc(-c2cc3ccccc3s2)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CYP19A1 P11511 1/20 0.48
APP P05067 2/20 0.42
DCK P27707 1/20 0.40
TRPV3 Q8NET8 1/20 0.39
IKBKB O14920 4/20 0.39
CHUK O15111 1/20 0.39
IKBKG Q9Y6K9 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
KCNH2 Q12809 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38

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
SCHEMBL4009999 0.92 KDM1A (0.50) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL13017787 0.81 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL4821816 0.81 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL28911362 0.81 KDM1A (0.57) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL13201335 0.81 KDM1A (0.64) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL4659871 0.79 KDM1A (0.56) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL12376481 0.78 KDM1A (0.54) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL19794423 0.77 KDM1A (0.53) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL3824441 0.77 KDM1A (0.53) KDM1ACYP11B1CYP11B2CYP19A1APP
SCHEMBL403651 0.76 CYP19A1 (0.60) KDM1ACYP11B1CYP11B2CYP19A1APP

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 WO disclosed
EP-1501907-B1 SOLUTION-PROCESSABLE PHOSPHORESCENT MATERIALS CAMBRIDGE ENTPR LTD (GB) 2016-07-27 EP disclosed
US-9023978-B2 Solution-processable phosphorescent materials CAMBRIDGE ENTERPRISE LTD. (GB) 2015-05-05 US disclosed
US-9023978-B2 Solution-processable phosphorescent materials CAMBRIDGE ENTERPRISE LTD. (GB) 2015-05-05 US disclosed
US-8697872-B2 Boron compounds and uses thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-04-15 US disclosed
US-20120253044-A1 Boron Compounds and Uses Thereof WANG, SUNING (CA) 2012-10-04 US disclosed
EP-2264123-A2 Solution-processable phosphorescent materials Cambridge Display Technology Limited (GB) 2010-12-22 EP disclosed
WO-2009082043-A1 IRIDIUM COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE DONGWOO FINE-CHEM CO., LTD. (KR) 2009-07-02 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 (3 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC KDM1A 4569/4885CYP11B1 3601/4885CYP11B2 3300/4885
US-20120253044-A1 Boron Compounds and Uses Thereof BRI3BP, BRSK1, BROX KDM1A 1675/4885CYP11B1 1608/4885CYP11B2 1492/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM1A 4106/4885CYP11B1 2170/4885CYP11B2 1585/4885

“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.