SCHEMBL18015153

SCHEMBL18015153

Brc1ccc(-c2cc3ccccc3nn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.49
▸ AGTR1 P30556 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ ADORA2A P29274 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BIRC5 O15392 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP1A1 P04798 2/20 0.39
▸ CYP1B1 Q16678 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39

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
SCHEMBL3923106 0.84 SMARCA2 (0.48) MAOBAGTR1KDM4EALDH1A1ADORA2A
SCHEMBL27898152 0.82 SMARCA2 (0.47) MAOBAGTR1KDM4EALDH1A1ADORA2A
SCHEMBL18806848 0.82 KDM4E (0.48) MAOBAGTR1KDM4EALDH1A1MAPT
SCHEMBL21203011 0.81 KDM4E (0.42) MAOBKDM4EALDH1A1MAPTNPC1
SCHEMBL28131822 0.81 AR (0.58) MAOBKDM4EALDH1A1ADORA2AMAPT
SCHEMBL14035649 0.81 MEN1 (0.51) AGTR1KDM4EALDH1A1MAPTNPC1
SCHEMBL18015635 0.80 SMARCA2 (0.42) MAOBAGTR1KDM4EALDH1A1MAPT
SCHEMBL5483645 0.80 ALDH1A1 (0.55) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL31115164 0.80 ALDH1A1 (0.55) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL31010858 0.77 MAPT (0.50) MAOBKDM4EALDH1A1MAPTNPC1

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 5 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

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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC MAOB 2440/4885AGTR1 3306/4885KDM4E 3894/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 MAOB 2817/4885AGTR1 3417/4885KDM4E 3864/4885

“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.

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