SCHEMBL5621775

SCHEMBL5621775

O=S1(=O)N=NC(Cl)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
GPR3 P46089 1/20 0.31
PKM P14618 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
SCHEMBL11464561 0.77 CA12 (0.32) CA12CA1CA2CA9GPR3
SCHEMBL2793795 0.77 PKM (0.34) CA12CA1CA2CA9GPR3
SCHEMBL2791467 0.74 EDNRA (0.32) CA12CA1CA2CA9
SCHEMBL2791296 0.73
SCHEMBL1873170 0.65 KDM1A (0.39) CA12CA1CA9
SCHEMBL3579238 0.64 CA1 (0.35) CA1CA2
SCHEMBL9304238 0.61 CA12 (0.39) CA12CA1CA2CA9GPR3
SCHEMBL9292345 0.61 RET (0.33) CA12CA1CA2CA9
SCHEMBL10231783 0.60 GPR3 (0.33) GPR3
SCHEMBL8457578 0.60 KMT2A (0.38) CA12CA1CA2CA9GPR3

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-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
EP-1644369-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 US disclosed
WO-2005005395-A2 ARYLAMINE-SUBSTITUTED QUINAZOLINONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 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-20070265446-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B CA12 4884/4885CA1 4874/4885CA2 4678/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B CA12 4884/4885CA1 4874/4885CA2 4678/4885

“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.