SCHEMBL4504507

SCHEMBL4504507

Cc1ccc2oc(-c3cc([N+](=O)[O-])ccc3N3CCCC3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 3/20 0.60
▸ MMP9 P14780 3/20 0.60
▸ MMP8 P22894 3/20 0.60
▸ MMP13 P45452 3/20 0.60
▸ MAPT P10636 9/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ NPC1 O15118 6/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ TP53 P04637 1/20 0.48
▸ PAX8 Q06710 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ THRB P10828 2/20 0.46
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPBWR1 P48145 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
Hydrochloric Acid SCHEMBL4522022 0.80 RAB9A (0.60) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL4501854 0.80 MMP2 (0.67) MMP2MMP9MMP8MMP13MAPT
SCHEMBL5834798 0.80 MMP2 (0.67) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4511714 0.78 MMP2 (0.65) MMP2MMP9MMP8MMP13MAPT
SCHEMBL5834651 0.77 MAPT (0.57) MMP2MMP9MMP8MMP13MAPT
SCHEMBL2244223 0.75 MMP2 (1.00) MMP2MMP9MMP8MMP13MAPT
SCHEMBL25598124 0.74 RAB9A (0.57) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4544471 0.74 KDM4E (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL5834465 0.74 MMP2 (0.58) MMP2MMP9MMP8MMP13MAPT
SCHEMBL4544433 0.73 KDM4E (0.46) MMP2MMP9MMP8MMP13MAPT

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 3 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

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 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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