SCHEMBL4510136

SCHEMBL4510136

CC(C)(C)c1ccc2oc(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.65
NPC1 O15118 9/20 0.65
MAPT P10636 7/20 0.65
SMN1; SMN2 Q16637 6/20 0.65
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
ELANE P08246 1/20 0.54
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
MCL1 Q07820 1/20 0.53
ATM Q13315 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 1/20 0.53
CASP3 P42574 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
TP53 P04637 1/20 0.51
HSPD1 P10809 1/20 0.50
PTPN2 P17706 1/20 0.50

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
SCHEMBL6683987 0.88 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL7921287 0.86 RAB9A (0.82) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL5378778 0.84 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4508204 0.84 RAB9A (0.81) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL6686868 0.81 RAB9A (0.74) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL29531637 0.81 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL4512191 0.81 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL30002727 0.81 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL28686681 0.81 RAB9A (0.70) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL6682494 0.81 RAB9A (0.67) RAB9ANPC1MAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 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 (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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 RAB9A 3680/4885NPC1 4501/4885MAPT 270/4885

“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.