SCHEMBL961818

SCHEMBL961818

CCn1nc(C(=O)O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 8/20 0.52
▸ F2 P00734 5/20 0.50
▸ PLAU P00749 5/20 0.50
▸ CTRB1 P17538 5/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CNR1 P21554 2/20 0.47
▸ ACHE P22303 2/20 0.47
▸ CNR2 P34972 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL11146591 0.91 LMNA (0.57) ELANEF2PLAUCTRB1KLKB1
SCHEMBL958123 0.85 ELANE (0.68) ELANEF2PLAUCTRB1KLKB1
SCHEMBL11153043 0.84 LMNA (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL13854989 0.82 L3MBTL1 (0.61) ELANEF2PLAUCTRB1KLKB1
SCHEMBL14923625 0.82 MAPT (0.51) ELANELMNAMAPTMEN1KMT2A
SCHEMBL27730179 0.82 ELANE (0.53) ELANEF2PLAUCTRB1KLKB1
SCHEMBL22151026 0.81 MAPT (0.52) ELANELMNAMAPTMEN1KMT2A
SCHEMBL264907 0.81 ADORA2A (0.54) ELANEF2PLAUCTRB1LMNA
SCHEMBL11145983 0.81 L3MBTL1 (0.46) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4007969 0.81 ELANE (0.45) ELANEF2PLAUCTRB1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528708-B Indazole derivatives useful as l-cpt1 inhibitors HOFFMANN LA ROCHE 2012-01-04 — — CN disclosed
US-8071628-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
US-20110015234-A1 INDAZOLE DERIVATIVES ACKERMANN JEAN 2011-01-20 — — US disclosed
US-7858645-B2 Indazole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US disclosed
CN-101528708-A Indazole derivatives useful as L-CPT1 inhibitors HOFFMANN LA ROCHE (CH) 2009-09-09 — — CN disclosed
EP-2079703-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. Hoffmann-Roche AG (CH) 2009-07-22 — — EP disclosed
WO-2008052898-A1 INDAZOLE DERIVATIVES USEFUL AS L-CPT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-05-08 — — WO disclosed
US-20080103182-A1 INDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-05-01 — — 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-20080103182-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885F2 2563/4885PLAU 4405/4885
US-20110015234-A1 INDAZOLE DERIVATIVES CPT1A, CPT1B, CES1 ELANE 1677/4885F2 2563/4885PLAU 4405/4885

“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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