Sugi Predict

Sugi Predict / Compounds / SCHEMBL4359591

SCHEMBL4359591

SCHEMBL4359591

C=CCOc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ CYP19A1 P11511 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ MAPT P10636 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ PDE4B Q07343 3/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46

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
SCHEMBL27452313 0.87 HTT (0.41) HTTTDP1CYP19A1PTGS2MAPT
SCHEMBL27631030 0.84 ALDH1A1 (0.50) HTTTDP1CYP19A1MAPTCYP3A4
SCHEMBL27509362 0.82 ALDH1A1 (0.43) HTTCYP19A1PTGS2MAPTSMN1; SMN2
SCHEMBL5668088 0.82 GPR35 (0.45) HTTTDP1MAPTSMN1; SMN2HPGD
SCHEMBL29749978 0.82 ALDH1A1 (0.52) HTTTDP1MAPTSMN1; SMN2HPGD
SCHEMBL4180320 0.82 ERN1 (0.49) HTTTDP1PTGS2MAPTSMN1; SMN2
SCHEMBL10714683 0.82 ALDH1A1 (0.52) HTTTDP1MAPTSMN1; SMN2HPGD
SCHEMBL9838306 0.82 HTT (0.57) HTTTDP1MAPTCYP3A4CYP2C19
SCHEMBL1008451 0.81 HTT (0.60) HTTTDP1CYP19A1PTGS2MAPT
SCHEMBL27509361 0.81 LMNA (0.43) HTTTDP1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 — — US disclosed
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans WYETH (US) 2009-02-12 — — US disclosed
US-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 — — US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 — — US disclosed
US-7479500-B2 Antidepressant piperidine derivatives of heterocyclefused benzodioxans WYETH (US) 2009-01-20 — — US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 — — US disclosed
US-7419986-B2 Antidepressant azaheterocyclylmethyl derivatives of heterocycle-fused benzodioxans WYETH (US) 2008-09-02 — — US disclosed
CN-101230066-A Antidepressant piperidine derivatives of heterocycle-fused benzodioxans WYETH CORP (US) 2008-07-30 — — CN disclosed
US-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 — — US disclosed
US-7381723-B2 Azabicyclylmethyl derivatives of 7,8-dihydro-1,6,9,-trioxa-3-aza-cyclopenta[a]naphthalene as 5-HT1A antagonists WYETH (US) 2008-06-03 — — US disclosed
CN-1084748-C Aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]-indol-8-ones and derivatives AERMICAN HOME PRODUCTS CORP (US) 2002-05-15 — — CN disclosed
EP-1100495-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2001-05-23 — — EP disclosed
WO-2000006153-A1 PROPENAMIDES AS CCR5 MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 — — WO disclosed
US-5962465-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-05 — — US disclosed
EP-0932609-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO 2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-04 — — EP disclosed
US-5869490-A ADMINSTERING TO TREAT BRAIN DOPAMINE DYSREGULATION; SCHIZOPHRENIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-02-09 — — US disclosed
US-5756532-A Aminomethyl-2 3 8 9-tetrahydro-7H-1 4-dioxino 2 3-E!-indol-8-ones and derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-26 — — US disclosed
WO-1998016530-A1 AZAHETEROCYCLYMETHYL DERIVATIVES OF 2,3,8,9-TETRAHYDRO-7H-1,4-DIOXINO[2,3-e]INDOL-8-ONE AMERICAN HOME PRODUCTS CORPORATION (US) 1998-04-23 — — WO disclosed
CN-1155546-A Aminomethyl-2,3,8,9-tetrahydro-7H-1,4-dioxino[2,3-e]-indol-8-ones and derivatives AMERICAN HOME PROD (US) 1997-07-30 — — CN disclosed
EP-0771800-A2 Dioxino derivatives and their use as dopamine agonists AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-07 — — 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 (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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HTT 980/4885TDP1 1284/4885CYP19A1 5/4885
US-20090042895-A1 Antidepressant Piperidine Derivatives of Heterocycle-Fused Benzodioxans HTR5A, OPRD1, CRH HTT 935/4885TDP1 957/4885CYP19A1 5/4885

“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.