SCHEMBL4677149

SCHEMBL4677149

CC1(C)Oc2c(Br)cc(F)cc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.38
▸ PDE3B Q13370 2/20 0.34
▸ PDE3A Q14432 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PGR P06401 7/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ AR P10275 1/20 0.31

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
SCHEMBL18128229 0.83 BRD4 (0.42) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL16834092 0.81 KDM4E (0.37) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL17594685 0.81 HTR6 (0.40) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL31496933 0.79 ADRA2A (0.34) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL21695809 0.78 PDE3B (0.33) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL2247149 0.77 BRD4 (0.36) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL25130119 0.77 PDE3B (0.32) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL17213595 0.77 KDM4E (0.43) BRD4PDE3BPDE3AKDM4EALDH1A1
SCHEMBL30753011 0.77 PGR (0.40) BRD4KDM4EALDH1A1SMN1; SMN2PGR
SCHEMBL16834268 0.77 ALDH1A1 (0.41) BRD4PDE3BPDE3AKDM4EALDH1A1

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
EP-1562918-B1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2008-01-16 — — EP disclosed
US-7141562-B2 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC (US) 2006-11-28 — — US disclosed
EP-1562918-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2005-08-17 — — EP disclosed
WO-2004041792-A1 SUBSTITUTED BENZOXAZINONES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2004-05-21 — — WO disclosed
US-20040092512-A1 Substituted benzoxazinones and uses thereof ROCHE PALO ALTO LLC 2004-05-13 — — 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 (1 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-20040092512-A1 Substituted benzoxazinones and uses thereof CYP4X1, CYP3A5, CYP2D6 BRD4 730/4885PDE3B 460/4885PDE3A 636/4885

“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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