SCHEMBL4026837

SCHEMBL4026837

COC(=O)c1ccc(OC)c2c1c1cc([N+](=O)[O-])ccc1n2C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.45
▸ ELANE P08246 4/20 0.44
▸ F2 P00734 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ HTT P42858 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ SRC P12931 1/20 0.41
▸ F2RL3 Q96RI0 1/20 0.40

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
SCHEMBL4030576 0.90 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL5016430 0.82 GAA (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL4028106 0.81 PDE4D (0.52) —
SCHEMBL4055213 0.81 MAPT (0.48) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL5026569 0.79 MAPT (0.47) MAPTPKMALDH1A1MEN1KMT2A
SCHEMBL4058283 0.76 MAPT (0.43) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL4465297 0.76 HTR2C (0.40) MAPTHTTALDH1A1KMT2ALMNA
SCHEMBL29232890 0.76 ELANE (0.52) MAPTELANEF2PLAUCTRB1
SCHEMBL29232892 0.76 ELANE (0.52) MAPTELANEF2PLAUCTRB1
SCHEMBL656472 0.75 HTT (0.60) MAPTHTTPKMALDH1A1MEN1

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-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-07-16 — — US disclosed
EP-1620429-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS SA (CH) 2009-04-01 — — EP disclosed
US-7393846-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-07-01 — — US disclosed
US-7384962-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2008-06-10 — — US disclosed
US-7223789-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-29 — — US disclosed
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 — — US disclosed
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 — — US disclosed
US-20050027129-A1 Novel heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS, INC. USA 2005-02-03 — — 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 (4 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-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 MAPT 850/4885ELANE 260/4885F2 926/4885
US-20050027129-A1 Novel heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them PDE4A, PDE4B, PDE12 MAPT 850/4885ELANE 260/4885F2 926/4885
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 MAPT 850/4885ELANE 260/4885F2 926/4885
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 MAPT 850/4885ELANE 260/4885F2 926/4885

“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.

Send feedback