Sugi Predict

Sugi Predict / Compounds / SCHEMBL3885646

SCHEMBL3885646

SCHEMBL3885646

CN(C)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ HTT P42858 2/20 0.70
▸ TP53 P04637 1/20 0.70
▸ MAPT P10636 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HCAR3 P49019 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ CTSV O60911 2/20 0.50
▸ CTSL P07711 2/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ SLC6A9 P48067 1/20 0.46
▸ SLC6A5 Q9Y345 1/20 0.46
▸ MAOA P21397 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
SCHEMBL10679792 0.87 ALDH1A1 (0.77) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL10692173 0.87 ALDH1A1 (0.77) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL11693635 0.87 ALDH1A1 (0.77) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL15486114 0.85 ALDH1A1 (0.74) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL11099515 0.83 ALDH1A1 (0.71) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL27715947 0.83 ALDH1A1 (0.71) ALDH1A1HTTTP53MAPTL3MBTL1
SCHEMBL3149715 0.83 HTT (1.00) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL11107017 0.80 ALDH1A1 (0.68) ALDH1A1HTTTP53MAPTCTSV
SCHEMBL11443974 0.79 ALDH1A1 (0.64) ALDH1A1HTTTP53MAPTTDP1
SCHEMBL11819145 0.78 ALDH1A1 (0.64) ALDH1A1HTTTP53MAPTTDP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678815-B N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof 中国药科大学 2022-11-29 — — CN disclosed
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 — — CN disclosed
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 — — US disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 — — CN disclosed
CN-109678815-A N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications 中国药科大学 2019-04-26 — — CN disclosed
CN-108929263-A Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-12-04 — — CN disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 — — US disclosed
US-8486962-B2 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2013-07-16 — — US disclosed
EP-1888063-B1 ANTIFUNGAL AGENTS F2G LTD (GB) 2009-01-14 — — EP disclosed
US-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus F2G LTD. (GB) 2008-07-03 — — US disclosed
EP-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 — — EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 — — WO disclosed
EP-0170069-B1 HAIR-DYEING COMPOSITIONS Henkel Kommanditgesellschaft auf Aktien (DE) 1989-10-11 — — EP disclosed
US-4619666-A Hair dyes containing amino-nitrobenzoic acid or amino-nitrobenzene sulfonic acids as substantive dyes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1986-10-28 — — US disclosed
EP-0190299-A1 NEW p-PHENYLENEDIAMINE PEPTIDES AND REACTANCE CONTAINING THEM FOR THE DETERMINATION OF PROTEASES OF THE BLOOD COAGULATION SYSTEM Roche Diagnostics GmbH (DE) 1986-08-13 — — EP disclosed
WO-1986001209-A2 NEW p-PHENYLENEDIAMINE PEPTIDES AND REACTANCE CONTAINING THEM FOR THE DETERMINATION OF PROTEASES OF THE BLOOD COAGULATION SYSTEM BOEHRINGER MANNHEIM GMBH (DE) 1986-02-27 — — WO disclosed
EP-0170069-A1 Hair-dyeing compositions Henkel Kommanditgesellschaft auf Aktien (DE) 1986-02-05 — — 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 (3 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-20080161302-A1 N-(2-Methoxy-phenyl)-2-oxo-2-(2-phenyl-indolizin-3-yl)-acetamide; antifungal agents; inhibiting Aspergillus NAT1, CYP1A2, CYP51A1 ALDH1A1 510/4885HTT 3105/4885TP53 3576/4885
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT ALDH1A1 3848/4885HTT 1293/4885TP53 248/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT ALDH1A1 3848/4885HTT 1293/4885TP53 248/4885

“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.