SCHEMBL3198654

SCHEMBL3198654

COc1ccc2nc(-c3ccc(Br)nc3)oc2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.71
HDAC6 Q9UBN7 2/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TP53 P04637 3/20 0.50
GPR119 Q8TDV5 3/20 0.47
LMNA P02545 2/20 0.46
CASP3 P42574 1/20 0.46
MAPT P10636 3/20 0.46
TLR7 Q9NYK1 3/20 0.46
F2RL3 Q96RI0 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL3181774 0.89 APP (0.71) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3187032 0.85 APP (0.70) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3181750 0.85 APP (0.70) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL29364586 0.85 APP (0.61) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL28509208 0.85 APP (0.61) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3192613 0.83 APP (0.84) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3188005 0.83 APP (1.00) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL3188032 0.82 APP (0.65) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL21566015 0.81 APP (0.63) APPHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL14346802 0.80 APP (0.63) APPHDAC6NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035418-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES Astra Zeneca AB (SE) 2009-03-18 EP claimed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US claimed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO claimed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
EP-2035418-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES Astra Zeneca AB (SE) 2009-03-18 EP disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
US-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles ASTRAZENECA AB (SE) 2008-01-31 US disclosed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO disclosed
WO-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 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 (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-20080027051-A1 Novel Heteroaryl Substituted Benzoxazoles PSEN1, PSEN2, APP APP 3/4885HDAC6 1129/4885NPC1 293/4885

“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.