SCHEMBL4501854

SCHEMBL4501854

Cc1ccc2oc(-c3cc([N+](=O)[O-])ccc3Cl)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.67
▸ MMP9 P14780 3/20 0.67
▸ MMP8 P22894 3/20 0.67
▸ MMP13 P45452 3/20 0.67
▸ NPC1 O15118 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ MAPT P10636 2/20 0.60
▸ AGPAT2 O15120 11/20 0.58
▸ PPARG P37231 2/20 0.54
▸ PTGES O14684 1/20 0.52

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
SCHEMBL4505279 0.88 MAPT (0.58) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4513561 0.85 MAPT (0.60) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5834798 0.85 MMP2 (0.67) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4514389 0.85 RAB9A (0.50) MMP2MMP9MMP8MMP13NPC1
SCHEMBL2690401 0.84 MMP2 (0.63) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4511714 0.83 MMP2 (0.65) MMP2MMP9MMP8MMP13NPC1
SCHEMBL2244223 0.81 MMP2 (1.00) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4513288 0.80 APEX1 (0.59) MMP2MMP9MMP8MMP13NPC1
SCHEMBL4504507 0.80 MMP2 (0.60) MMP2MMP9MMP8MMP13NPC1
SCHEMBL5834465 0.79 MMP2 (0.58) MMP2MMP9MMP8MMP13NPC1

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 6 patents. 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
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 — — EP disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 — — WO disclosed
WO-2002036580-A9 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2003-02-13 — — WO disclosed
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS, INC. 2002-08-08 — — US disclosed
WO-2002036580-A2 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 — — 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 (2 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-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 MMP2 1513/4885MMP9 809/4885MMP8 1466/4885
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 MMP2 181/4885MMP9 466/4885MMP8 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.

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