SCHEMBL16745964

SCHEMBL16745964

CC1=NCC2=C1c1ccccc1NCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
NOS2 P35228 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 2/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP11 Q9NR21 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 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
SCHEMBL12657646 0.65 BRD4 (0.46) BRD4NOS2BCHEACHENISCH
SCHEMBL1617927 0.63 PDPK1 (0.59) BRD4NOS2BCHEACHEMEN1
SCHEMBL11802702 0.63 BRD4 (0.44) BRD4NOS2BCHEACHEMEN1
SCHEMBL7255005 0.63 BRD4 (0.44) BRD4NOS2BCHEACHEMEN1
SCHEMBL68581 0.63 MEN1 (0.61) BRD4NOS2BCHEACHEMEN1
SCHEMBL1496025 0.62 BRD4 (0.44) BRD4NOS2BCHEACHENISCH
SCHEMBL13950045 0.62 BRD4 (0.44) BRD4NOS2BCHEACHENISCH
SCHEMBL1495908 0.61 BRD4 (0.47) BRD4NOS2BCHEACHENISCH
SCHEMBL16738093 0.61 BRD4 (0.61) BRD4NOS2BCHEACHENISCH
SCHEMBL1496040 0.61 BCHE (0.44) BRD4NOS2BCHEACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624244-B2 Benzo [B] isoxazoloazepine bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-05-28 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-20150148333-A1 BENZO [B] ISOXAZOLOAZEPINE BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRD3, BRD2 BRD4 1/4885NOS2 4591/4885BCHE 283/4885

“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.