SCHEMBL18326368

SCHEMBL18326368

COc1cc2c(ccc(=O)n2CCN2CCOCC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.48
▸ SUV39H2 Q9H5I1 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ SYK P43405 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GSK3B P49841 1/20 0.40

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
SCHEMBL20373739 0.87 SCN7A (0.41) KDM4EGLAKCNH2
SCHEMBL20373742 0.86 MAPK1 (0.43) MAPK1SMN1; SMN2KDM4ELMNACNR2
SCHEMBL20373438 0.80 LMNA (0.41) MAPK1SMN1; SMN2KMT2AKDM4ELMNA
SCHEMBL16905795 0.80 CREBBP (0.51) BRD4CREBBP
SCHEMBL30665881 0.74 BRPF1 (0.52) SMN1; SMN2KMT2AKDM4EGLABRD4
SCHEMBL17576626 0.74 BRPF1 (0.52) SMN1; SMN2KMT2AKDM4EGLABRD4
SCHEMBL18326383 0.72 PDE5A (0.46) KMT2AKDM4E
SCHEMBL18326364 0.72 ACHE (0.47) MAPK1KDM4E
SCHEMBL18326370 0.71 PDE5A (0.41) SMN1; SMN2KMT2AKDM4EGLA
SCHEMBL16905778 0.70 PDE5A (0.43) KMT2ASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors ORION CORPORATION (FI) 2020-03-17 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — US disclosed
US-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2016-12-22 — — 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-20160368906-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AS BROMODOMAIN INHIBITORS BRD1, BRD2, BRD3 HTT 1519/4885SUV39H2 2334/4885MAPK1 84/4885
US-10590118-B2 Bicyclic heterocyclic derivatives as bromodomain inhibitors BRD1, BRD2, BRD3 HTT 1519/4885SUV39H2 2334/4885MAPK1 84/4885

“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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