Sugi Predict

Sugi Predict / Compounds / SCHEMBL461047

SCHEMBL461047

SCHEMBL461047

O=[C]C=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.62
▸ FBP1 P09467 2/20 0.60
▸ NPC1 O15118 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ PTGS2 P35354 6/20 0.53
▸ PTGS1 P23219 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ MAOB P27338 4/20 0.47
▸ BCHE P06276 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ POLB P06746 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
SCHEMBL4750994 1.00 APP (0.62) APPFBP1NPC1MAPTRAB9A
SCHEMBL9170804 0.83 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL9170800 0.83 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL458178 0.83 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL14947048 0.83 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL458177 0.83 APP (0.78) APPFBP1NPC1MAPTRAB9A
SCHEMBL10836802 0.82 APP (0.60) APPFBP1NPC1MAPTRAB9A
SCHEMBL10836804 0.82 APP (0.60) APPFBP1NPC1MAPTRAB9A
SCHEMBL3130064 0.82 APP (0.60) APPFBP1NPC1MAPTRAB9A
SCHEMBL8612499 0.82 APP (0.60) APPFBP1NPC1MAPTRAB9A

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9416084-B2 Method of producing ingenol-3-angelate LEO LABORATORIES LIMITED (IE) 2016-08-16 — — US claimed
US-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin MERCK EPROVA AG (CH) 2007-10-18 — — US claimed
EP-1776364-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BioMarin Pharmaceutical Inc. (US) 2007-04-25 — — EP claimed
WO-2005049614-A2 PROCESSES FOR PREPARING TETRAHYDROBIOPTERIN, AND ANALOGS OF TETRAHYDROBIOPTERIN BIOMARIN PHARMACEUTICAL INC. (US) 2005-06-02 — — WO claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 — — US claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 — — US claimed
US-6143895-A TETRAHYDROQUINOLINONE COMPOUND TREGA BIOSCIENCES, INC. (US) 2000-11-07 — — US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 — — EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 — — EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 — — EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 — — US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 — — WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES — 1998-05-22 — — WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 — — WO claimed
CN-114085243-B Pyrrolo [1,2-f ] [1,2,4] triazines useful for the treatment of respiratory syncytial virus infection 吉利德科学公司 2024-04-26 — — CN disclosed
CN-110650954-B anticancer compounds 法马马有限公司 2023-11-03 — — CN disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 — — WO disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 — — US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 — — 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 (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-20070244322-A1 Process for Preparing Tetrahydrobiopterin and Analogs of Tetrahydrobiopterin SPR, DHPS, BLVRB APP 305/4885FBP1 790/4885NPC1 1944/4885

“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.