Sugi Predict

Sugi Predict / Compounds / SCHEMBL521695

SCHEMBL521695

SCHEMBL521695

O=C(C=Cc1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 5/20 1.00
▸ MAOB P27338 11/20 0.88
▸ BCHE P06276 2/20 0.88
▸ MAOA P21397 6/20 0.73
▸ MAPT P10636 4/20 0.71
▸ LMNA P02545 2/20 0.66
▸ PLIN1 O60240 1/20 0.66
▸ TNFRSF1A P19438 1/20 0.66
▸ ACHE P22303 1/20 0.66
▸ RECQL P46063 1/20 0.66
▸ PLIN5 Q00G26 1/20 0.66
▸ ABHD5 Q8WTS1 1/20 0.66
▸ HSPD1 P10809 2/20 0.65
▸ HSPE1 P61604 2/20 0.65
▸ MEN1 O00255 1/20 0.63
▸ ALDH2 P05091 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP19A1 P11511 1/20 0.63
▸ F3 P13726 1/20 0.63
▸ KMT2A Q03164 1/20 0.63

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
SCHEMBL3082127 1.00 CYP1B1 (1.00) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL3012785 0.94 MAOB (1.00) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL11803175 0.94 MAOB (1.00) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL521696 0.94 MAOB (1.00) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL6733848 0.92 MAOB (0.85) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL6733854 0.92 MAOB (0.85) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL9136943 0.89 MAOB (0.80) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL9136940 0.89 MAOB (0.80) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL8977005 0.86 MAOB (0.76) CYP1B1MAOBBCHEMAOAMAPT
SCHEMBL8965786 0.86 MAOB (0.76) CYP1B1MAOBBCHEMAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2712367-B1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIV SOUTHERN CALIFORNIA (US) 2018-09-26 — — EP claimed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US claimed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 — — US claimed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 — — WO claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 — — US claimed
EP-2376444-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS The Royal College of Surgeons in Ireland (IE) 2011-10-19 — — EP claimed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 — — WO claimed
CN-109761842-B Synthesis method of alpha-F-beta-NHAc-carbonyl compound 浙江工业大学 2021-11-30 — — CN disclosed
CN-109734571-B Method for synthesizing alpha-F-beta-OH-carbonyl compound 浙江工业大学 2021-11-30 — — CN disclosed
EP-2712367-B1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIV SOUTHERN CALIFORNIA (US) 2018-09-26 — — EP disclosed
US-9334253-B2 Direct trifluoromethylations using trifluoromethane UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2016-05-10 — — US disclosed
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2014-03-06 — — US disclosed
WO-2012148772-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-11-01 — — WO disclosed
US-7795166-B2 Functional group-selective hydrogenation catalyst and functional group-selective hydrogenation method N.E. CHEMCAT CORPORATION (JP) 2010-09-14 — — US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 — — WO disclosed
EP-2196456-A1 A method for preparing sulfur-containing compounds Royal College of Surgeons in Ireland (IE) 2010-06-16 — — EP disclosed
CN-101440065-A Mechanochemical preparation of 1,3,5-triaryl-2-pyrazoline compounds UNIV ZHEJIANG TECHNOLOGY (CN) 2009-05-27 — — CN disclosed
US-20070155617-A1 FUNCTIONAL GROUP-SELECTIVE HYDROGENATION CATALYST AND FUNCTIONAL GROUP-SELECTIVE HYDROGENATION METHOD N. E. CHEMCAT CORPORATION (JP) 2007-07-05 — — US disclosed
US-4035395-A Process for the preparation of ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-07-12 — — US disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 — — 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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST CYP1B1 353/4885MAOB 1192/4885BCHE 4699/4885
US-20140066640-A1 DIRECT TRIFLUOROMETHYLATIONS USING TRIFLUOROMETHANE TST, FLI1, CYP2F1 CYP1B1 1586/4885MAOB 2391/4885BCHE 3974/4885

“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.