SCHEMBL2551285

SCHEMBL2551285

COc1nn(-c2ccccc2)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KHK P50053 9/20 0.52
▸ FGFR1 P11362 1/20 0.47
▸ CNR2 P34972 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ ABHD16A O95870 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ ELANE P08246 1/20 0.45
▸ CTRB1 P17538 1/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ POLB P06746 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
SCHEMBL31037096 0.83 CA9 (0.46) KHKCNR2CA9PTGS2ABHD16A
SCHEMBL31037064 0.82 CA9 (0.45) KHKCNR2CA9PTGS2ABHD16A
SCHEMBL2547130 0.81 KHK (0.58) KHK
SCHEMBL2547135 0.76 KHK (0.57) KHKL3MBTL1
SCHEMBL2546328 0.76 KHK (0.57) KHKCA9CA12
SCHEMBL31037047 0.74 PTPRC (0.47) CA9PTGS2ABHD16ACA12ACHE
SCHEMBL7114374 0.73 ALDH1A1 (0.52) FGFR1CNR2CA9PTGS2L3MBTL1
SCHEMBL3649707 0.73 L3MBTL1 (0.50) FGFR1CNR2CA9PTGS2L3MBTL1
SCHEMBL29369460 0.73 ALDH1A1 (0.53) CA9PTGS2F2PLAUELANE
SCHEMBL14910318 0.72 CNR2 (0.62) CNR2L3MBTL1F2PLAUKLKB1

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
US-9771375-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2017-09-26 — — US disclosed
EP-2560962-B1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-05-20 — — EP disclosed
US-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2014-11-13 — — US disclosed
US-8822447-B2 Indazole compounds useful as ketohexokinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-09-02 — — US disclosed
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-27 — — 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 (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-20140336170-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885FGFR1 2128/4885CNR2 1675/4885
US-20110263559-A1 INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS KHK, GCK, GCKR KHK 1/4885FGFR1 2128/4885CNR2 1675/4885

“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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