SCHEMBL5621751

SCHEMBL5621751

COc1cc2[nH]c(CNCc3cccc(CN(C)S(C)(=O)=O)c3)nc(=O)c2c(C)c1OC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ GAA P10253 3/20 0.32
▸ CD274 Q9NZQ7 2/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5623105 0.92 ALDH1A1 (0.35) KDM4EALDH1A1BRD4CYP1A2HSD17B10
SCHEMBL5621753 0.84 FABP4 (0.35) KDM4EALDH1A1BRD4CYP1A2HSD17B10
SCHEMBL5621958 0.83 SMN1; SMN2 (0.40) KDM4EALDH1A1HSD17B10MAPTPOLB
SCHEMBL5621277 0.81 P2RX7 (0.41) BRD4MMP13
SCHEMBL5620833 0.81 FABP4 (0.41) KDM4EALDH1A1PKMSMN1; SMN2
SCHEMBL5622643 0.81 KDM4E (0.33) KDM4EALDH1A1BRD4ABCB1RXFP1
SCHEMBL5620706 0.81 RAF1 (0.38) KDM4EALDH1A1MAPTPOLB
SCHEMBL5622226 0.80 NOS1 (0.33) KDM4EALDH1A1BRD4HSD17B10ABCB1
SCHEMBL5621956 0.79 ROCK2 (0.36) KDM4EALDH1A1BRD4HSD17B10ABCB1
SCHEMBL5621813 0.79 PARP1 (0.34) KDM4EALDH1A1BRD4HSD17B10ABCB1

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-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
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ROCHE PALO ALTO LLC 2005-02-17 — — 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 KDM4E 4105/4885ALDH1A1 245/4885BRD4 653/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B KDM4E 4105/4885ALDH1A1 245/4885BRD4 653/4885

“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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