SCHEMBL5622226

SCHEMBL5622226

COc1cc2[nH]c(CNCc3cccc(/N=C(\C)N(C)C)c3)nc(=O)c2c(C)c1OC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ KDM4E B2RXH2 7/20 0.33
▸ ALDH1A1 P00352 6/20 0.33
▸ HPGD P15428 4/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SMO Q99835 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ NTRK2 Q16620 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
SCHEMBL5620855 0.92 MAPT (0.35) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5621727 0.91 NOS1 (0.32) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5621791 0.90 KDM4E (0.32) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5620929 0.90 NOS1 (0.32) NOS1BRD4KDM4EALDH1A1TDP1
SCHEMBL5651354 0.89 BRD4 (0.39) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5652977 0.88 GAA (0.41) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5652958 0.88 GAA (0.41) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5761657 0.88 GAA (0.41) NOS1BRD4KDM4EALDH1A1HPGD
SCHEMBL5622643 0.86 KDM4E (0.33) BRD4KDM4EALDH1A1ABCB1PKM
SCHEMBL5622332 0.85 RXFP1 (0.40) NOS1KDM4EALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244738-B2 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC (US) 2007-07-17 — — US claimed
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — US claimed
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 (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 NOS1 1323/4885BRD4 653/4885KDM4E 4105/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B NOS1 1323/4885BRD4 653/4885KDM4E 4105/4885

“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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