SCHEMBL5620833

SCHEMBL5620833

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ MYC P01106 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ UNG P13051 1/20 0.39
▸ MEP1B Q16820 1/20 0.38
▸ ACMSD Q8TDX5 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC16A3 O15427 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL5621958 0.90 SMN1; SMN2 (0.40) KMT2AKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5620706 0.84 RAF1 (0.38) KDM4EALDH1A1TDP1
SCHEMBL5622762 0.82 NPC1 (0.35) KDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5652991 0.81 ITGB3 (0.34) KDM4EPKMSMN1; SMN2ALDH1A1TDP1
SCHEMBL5622226 0.81 NOS1 (0.33) KMT2AKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5621751 0.81 KDM4E (0.33) KDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5621956 0.81 ROCK2 (0.36) ROCK2ROCK1KDM4EPKMSMN1; SMN2
SCHEMBL5622643 0.80 KDM4E (0.33) KDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL5620841 0.80 RXFP1 (0.40) KMT2AMRGPRX4MEP1BACMSDPKM
SCHEMBL5652587 0.78 ABCB1 (0.38) KMT2AKDM4EALDH1A1

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-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
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 FABP4 2490/4885KMT2A 2952/4885ROCK2 2245/4885
US-20050038016-A1 Arylamine-substituted quinazolinone compounds useful as alpha 1A/B adrenergic receptor antagonists ADRB1, ADRA1A, ADRA1B FABP4 2490/4885KMT2A 2952/4885ROCK2 2245/4885

“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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