SCHEMBL3199677

SCHEMBL3199677

COc1ccc2nc(-c3cnc(NC(=O)O)nc3)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.60
HDAC6 Q9UBN7 2/20 0.53
MAPT P10636 9/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 2/20 0.47
TP53 P04637 3/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
CASP3 P42574 1/20 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
SCHEMBL3193068 0.86 APP (0.73) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL13419391 0.86 APP (0.54) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL3180802 0.84 APP (0.73) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL3181316 0.82 APP (0.61) APPHDAC6MAPTSMN1; SMN2POLB
SCHEMBL3992338 0.79 APP (0.57) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL3188032 0.79 APP (0.65) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL3197429 0.78 APP (0.77) APPHDAC6MAPTSMN1; SMN2POLB
SCHEMBL3200362 0.77 APP (0.65) APPHDAC6SMN1; SMN2TP53NPC1
SCHEMBL3199939 0.76 APP (0.56) APPHDAC6MAPTSMN1; SMN2TDP1
SCHEMBL13419385 0.76 APP (0.67) APPHDAC6MAPTSMN1; SMN2TDP1

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 7 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
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 3/4885HDAC6 1129/4885MAPT 6/4885

“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.