SCHEMBL3204008

SCHEMBL3204008

COc1ccc2nc(Br)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.54
TLR4 O00206 1/20 0.48
XDH P47989 1/20 0.48
NLRP3 Q96P20 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
AKR1B1 P15121 1/20 0.46
HPGD P15428 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL6791597 0.80 APP (0.59) APPTLR4XDHNLRP3KDM4E
SCHEMBL2421219 0.79 APP (0.54) APPTLR4XDHNLRP3KDM4E
Coixol SCHEMBL29999166 0.79 APP (0.54) APPTLR4XDHNLRP3KDM4E
SCHEMBL558021 0.79 PIK3CG (0.56) APPTLR4XDHNLRP3KDM4E
SCHEMBL12778280 0.79 APP (0.54) APPTLR4XDHNLRP3KDM4E
SCHEMBL2419604 0.79 APP (0.54) APPTLR4XDHNLRP3KDM4E
SCHEMBL28509208 0.78 APP (0.61) APPKDM4EALDH1A1HPGDNPC1
SCHEMBL29364586 0.78 APP (0.61) APPKDM4EALDH1A1HPGDNPC1
Hydrochloric Acid SCHEMBL27075900 0.77 APP (0.52) APPTLR4XDHNLRP3KDM4E
SCHEMBL11335242 0.77 APP (0.52) APPTLR4XDHNLRP3KDM4E

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
CN-108530437-B Main luminescent material and synthesis method and application thereof 陕西莱特光电材料股份有限公司 2020-12-04 CN 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
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 3/4885TLR4 3927/4885XDH 53/4885

“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.