SCHEMBL15428151

SCHEMBL15428151

Brc1cc2c(cc1Br)C1C=CC2C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.30
KCNH2 Q12809 2/20 0.30
KDM1B Q8NB78 1/20 0.30

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
SCHEMBL31590344 1.00 KDM1A (0.30) KDM1AKCNH2KDM1B
SCHEMBL16905394 0.79 PRKDC (0.40)
SCHEMBL14316854 0.72
SCHEMBL19825894 0.72
SCHEMBL915720 0.69
SCHEMBL15416743 0.67 CHRNB2 (0.34) KDM1AKCNH2KDM1B
SCHEMBL4406720 0.65 CHRNB2 (0.47) KDM1AKDM1B
SCHEMBL16904169 0.65
SCHEMBL853286 0.65 CHRNB4 (0.40) KDM1AKDM1B
SCHEMBL14316867 0.64 CHRNB2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016959-B1 POLYCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-12-27 EP disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-9837622-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-05 US disclosed
US-20160204358-A1 POLYCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-07-14 US disclosed
US-20160204358-A1 POLYCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2016-07-14 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
US-20150263297-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-09-17 US disclosed
WO-2015000546-A1 POLYCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2015-01-08 WO disclosed
WO-2014008982-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-01-16 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 (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-20150263297-A1 Metal Complexes SOD1, AP1M1, AP3M1 KDM1A 4098/4885KCNH2 187/4885KDM1B 3685/4885
US-20160204358-A1 POLYCYCLIC COMPOUNDS VDAC2, VDAC3, KCNC1 KDM1A 3299/4885KCNH2 15/4885KDM1B 2788/4885

“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.