SCHEMBL14367991

SCHEMBL14367991

CCCc1cccc(/N=C(\C)N(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
GRIN2D O15399 2/20 0.55
GRIN3B O60391 2/20 0.55
GRIN1 Q05586 2/20 0.55
GRIN2A Q12879 2/20 0.55
GRIN2B Q13224 2/20 0.55
GRIN2C Q14957 2/20 0.55
GRIN3A Q8TCU5 2/20 0.55
NOS1 P29475 11/20 0.53
NOS2 P35228 4/20 0.47
NOS3 P29474 2/20 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
SCHEMBL14368024 0.88 SIGMAR1 (0.57) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14459684 0.82 NOS1 (0.46) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5621288 0.81 NOS1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5621292 0.81 NOS1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7449583 0.75 SIGMAR1 (0.72) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7449577 0.75 SIGMAR1 (0.72) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL14368067 0.73 LMNA (0.44) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11973935 0.73 GRIN2D (0.50) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13962303 0.72 NOS1 (0.42) SIGMAR1NOS1NOS2NOS3
SCHEMBL3726620 0.72 NOS1 (0.58) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists CONNOLLY TERRENCE J 2007-11-15 US disclosed
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B SIGMAR1 37/4885GRIN2D 1322/4885GRIN3B 921/4885

“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.