Sugi Predict

Sugi Predict / Compounds / SCHEMBL3435669

SCHEMBL3435669

SCHEMBL3435669

NCC=Cc1c[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 2/20 0.55
▸ IMPDH2 P12268 1/20 0.55
▸ NFKB1 P19838 2/20 0.51
▸ MPO P05164 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR1B P28222 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR7 P34969 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ HTR6 P50406 1/20 0.51
▸ CYP2A13 Q16696 1/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ MEN1 O00255 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ NPC1 O15118 3/20 0.50

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
SCHEMBL12425727 1.00 CYP2A6 (0.55) CYP2A6IMPDH2NFKB1MPOCYP1A2
SCHEMBL10489040 0.82 CYP2A6 (0.69) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL21306521 0.82 MEN1 (0.56) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL6159319 0.82 MEN1 (0.56) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL6159898 0.82 CYP2A6 (0.55) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL256668 0.82 MEN1 (0.56) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL28550147 0.81 MEN1 (0.55) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL13726273 0.79 CYP2A6 (0.51) CYP2A6IMPDH2NFKB1MEN1RAB9A
SCHEMBL3697104 0.77 KMT2A (0.51) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4
SCHEMBL3697106 0.77 KMT2A (0.51) CYP2A6IMPDH2NFKB1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7267913-A — — None — — JP disclosed
EP-1755581-B1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY LOCAL HEALTH DISTR (AU) 2015-07-15 — — EP disclosed
WO-2010035154-A1 RECOMBINANT PROTEINS OF EPOXIDE HYDROLASE (EH) FROM PEACH FONDAZIONE PARCO TECNOLOGICO PADANO (IT) 2010-04-01 — — WO disclosed
US-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides OXYRANE (UK) LIMITED (GB) 2009-11-05 — — US disclosed
US-20080249176-A1 Methods and Compositions for the Treatment of Myocardial Conditions UNIVERSIDAD POLITECNICA DE VALENCIA (ES) 2008-10-09 — — US disclosed
EP-1755581-A4 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS NORTHERN SYDNEY AND CENTRAL CO (AU) 2008-01-02 — — EP disclosed
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides OXYRANE UK LIMITED (GB) 2007-12-06 — — US disclosed
CN-1946389-A Methods and compositions for treating myocardial disease NORTHERN SYDNEY AND CENTRAL CO (AU) 2007-04-11 — — CN disclosed
EP-1756281-A2 METHOD FOR THE PREPARATION OF OPTICALLY ACTIVE EPOXIDES AND VICINAL DIOLS FROM STYRENE EPOXIDES USING ENANTIOSELECTIVE EPOXIDE HYDROLASES DERIVED FROM YEASTS CSIR (ZA) 2007-02-28 — — EP disclosed
EP-1755581-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYOCARDIAL CONDITIONS Northern Sydney and Central Coast Area Health Service (AU) 2007-02-28 — — EP disclosed
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 — — CN disclosed
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 — — CN disclosed
US-5583149-A TREATING VASCULAR HEADACHES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 — — US disclosed
US-5468768-A FOR TREATING VASCULAR HEADACHES BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-21 — — US disclosed
JP-H07267913-A PREPARATION OF SUBSTITUTED PHENYLHYDRAZONE MERCK PATENT GMBH 1995-10-17 — — JP disclosed
EP-0666258-A1 Indolylcycloaklanylamin- und Indolylcycloalkenylamine derivatives, their preparation and their use as anti-migraine agents Bristol-Myers Squibb Company (US) 1995-08-09 — — EP disclosed
US-4495352-A HYPOTENSIVE AGENTS; VASODILATION; ADRENERGIC BLOCKING ACTION MEAD JOHNSON & COMPANY (US) 1985-01-22 — — US disclosed
US-4314943-A ANTIHYPERTENSIVE AGENTS; VASODILATORS MEAD JOHNSON & COMPANY (US) 1982-02-09 — — US disclosed
US-4234595-A HYPOTENSIVE AGENTS; ADRENERGIC BLOCKING AGENTS; VASODILATION MEAD JOHNSON & COMPANY (US) 1980-11-18 — — US disclosed
US-3997539-A HYPOTENSIVE, TRANQUILIZER AMERICAN HOECHST CORPORATION (US) 1976-12-14 — — 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-20090275077-A1 Methods of Obtaining Optically Active Epoxides and Vicinal Diols from Styrene Oxides EPHX2, EPHX1, DERA CYP2A6 900/4885IMPDH2 91/4885NFKB1 2538/4885
US-20070281339-A1 Methods For Obtaining Optically Active Epoxides and Vicinal Diols From Styrene Oxides DERA, ERG28, EPHX2 CYP2A6 775/4885IMPDH2 164/4885NFKB1 2100/4885

“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.