Sugi Predict

Sugi Predict / Compounds / SCHEMBL6271817

SCHEMBL6271817

SCHEMBL6271817

COC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)C(C)=O

nearest known ligand 0.89

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 2/20 0.79
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA4 P22748 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ FBP1 P09467 1/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 5/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ NFE2L2 Q16236 1/20 0.49
▸ TRPV1 Q8NER1 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL30296654 1.00 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL6271821 1.00 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL30477011 1.00 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL9667966 1.00 GLO1 (0.79) GLO1CA1CA2CA4CA7
SCHEMBL7265045 0.94 GLO1 (0.73) GLO1CA1CA2CA4CA7
Acrylic Acid SCHEMBL28275854 0.93 GLO1 (0.68) GLO1CA1CA2CA4CA7
SCHEMBL8028846 0.89 GLO1 (1.00) GLO1CA1CA2CA4CA7
SCHEMBL1499798 0.86 GLO1 (0.73) GLO1CA1CA2CA4CA7
SCHEMBL7312484 0.86 GLO1 (1.00) GLO1CA1CA2CA4CA7
SCHEMBL15380703 0.86 GLO1 (0.73) GLO1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0160451-B1 DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID ESTER DERIVATIVE ISOMERS, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 — — EP claimed
CN-114907256-B Preparation method of benidipine hydrochloride 苏州东瑞制药有限公司 2024-01-12 — — CN disclosed
CN-106380442-A Preparation method of calcium ion channel antagonist manidipine 张家港威胜生物医药有限公司 2017-02-08 — — CN disclosed
US-9284330-B2 1,4-dihydro-naphthyridine derivative and pharmaceutical composition and use thereof JIANGSU SIMOVAY PHARMACEUTICAL CO., LTD. (CN) 2016-03-15 — — US disclosed
US-20140364443-A1 1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF JIANGSU SIMOVAY PHARMACEUTICAL CO., LTD. (CN) 2014-12-11 — — US disclosed
US-20140364443-A1 1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF JIANGSU SIMOVAY PHARMACEUTICAL CO., LTD. (CN) 2014-12-11 — — US disclosed
CN-103408483-A Calcium ion channels antagonist manidipine preparation method ZHANGJIAGANG WEISHENG BIOLOG PHARMACEUTICAL CO LTD 2013-11-27 — — CN disclosed
WO-2013083070-A1 1, 4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 江苏先声药业有限公司 (CN) 2013-06-13 — — WO disclosed
WO-2005107374-A2 A PROCESS FOR THE PREPARATION OF 1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID DERIVATIVE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-11-17 — — WO disclosed
US-5859244-A EXHIBIT VASODILATING ACTIVITY BASED ON CALCIUM ANTAGONISM AND PLATELET-ACTIVATING FACTOR ANTAGONISM FUJIREBIO, INC. (JP) 1999-01-12 — — US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 — — US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 — — US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 — — US disclosed
US-3946028-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 — — US disclosed
US-3946027-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 — — US disclosed
US-3943140-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-03-09 — — US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 — — US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 — — US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 — — 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 (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-20140364443-A1 1,4-DIHYDRO-NAPHTHYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION AND USE THEREOF ACHE, BACE1, CACNA1D GLO1 2229/4885CA1 406/4885CA2 132/4885

“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.