SCHEMBL3188802

SCHEMBL3188802

COC(=O)c1ccc2nc(-c3cnc(N(C)C)nc3)oc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ATM Q13315 1/20 0.59
APP P05067 4/20 0.55
TP53 P04637 1/20 0.52
HDAC6 Q9UBN7 7/20 0.50
GPR119 Q8TDV5 2/20 0.48
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 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
SCHEMBL19406064 0.81 MAPT (0.62) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL144958 0.80 MAPT (0.71) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL26293557 0.79 MAPT (0.73) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL3200362 0.79 APP (0.65) RAB9ASMN1; SMN2NPC1APPTP53
SCHEMBL3193340 0.79 APP (0.83) RAB9ANPC1APP
SCHEMBL20897609 0.78 MAPT (0.71) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL20897629 0.78 MAPT (0.71) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL16689757 0.78 TTR (0.72) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL20898075 0.78 MAPT (0.60) MAPTRAB9ASMN1; SMN2KDM4ENPC1
SCHEMBL14740978 0.77 MAPT (0.52) MAPTRAB9ASMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101506201-A Novel heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2009-08-12 CN claimed
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
CN-101506201-B Novel heteroaryl-substituted benzazoles derivatives ASTRAZENECA AB 2012-03-14 CN 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
US-7670591-B2 Heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2010-03-02 US disclosed
CN-101506201-A Novel heteroaryl substituted benzoxazoles ASTRAZENECA AB (SE) 2009-08-12 CN 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

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 MAPT 6/4885RAB9A 2657/4885SMN1; SMN2 1011/4885

“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.