Sugi Predict

Sugi Predict / Compounds / SCHEMBL2861095

SCHEMBL2861095

SCHEMBL2861095

CC(C)(C)OC(=O)n1nc(C(=O)CBr)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 10/20 0.50
▸ F2 P00734 6/20 0.50
▸ PLAU P00749 6/20 0.50
▸ CTRB1 P17538 6/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ MAPT P10636 2/20 0.40
▸ CNR2 P34972 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL12194069 0.87 ELANE (0.56) ELANEF2PLAUCTRB1KLKB1
SCHEMBL12193518 0.87 ELANE (0.59) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2469626 0.85 ELANE (0.44) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29508852 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL1457094 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29508910 0.83 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2864311 0.83 ELANE (0.54) ELANEF2PLAUCTRB1KLKB1
SCHEMBL27730187 0.83 ELANE (0.43) ELANEF2PLAUCTRB1KLKB1
SCHEMBL2144637 0.82 ELANE (0.47) ELANEF2PLAUCTRB1KLKB1
SCHEMBL30123629 0.82 ELANE (0.47) 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
US-7776890-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-17 — — US disclosed
EP-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 — — EP disclosed
US-20090203691-A1 Novel 1H-indazole compounds OINUMA HITOSHI 2009-08-13 — — US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 — — US disclosed
US-6982274-B2 1H-indazole compound EISAI CO., LTD. (JP) 2006-01-03 — — US disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 — — US disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 — — US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 — — EP 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 (3 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-20090203691-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ELANE 3796/4885F2 3378/4885PLAU 4860/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 ELANE 4492/4885F2 4651/4885PLAU 4833/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 ELANE 3796/4885F2 3378/4885PLAU 4860/4885

“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.