Sugi Predict

Sugi Predict / Compounds / SCHEMBL6455299

SCHEMBL6455299

SCHEMBL6455299

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 3/20 0.87
▸ MEN1 O00255 3/20 0.87
▸ KMT2A Q03164 3/20 0.87
▸ MAPT P10636 3/20 0.87
▸ CYP1A2 P05177 2/20 0.87
▸ CYP3A4 P08684 2/20 0.87
▸ CYP2C9 P11712 2/20 0.87
▸ CYP2C19 P33261 2/20 0.87
▸ LMNA P02545 1/20 0.87
▸ POLB P06746 1/20 0.87
▸ MAPK1 P28482 1/20 0.87
▸ GPR55 Q9Y2T6 1/20 0.87
▸ CYP2D6 P10635 1/20 0.87
▸ TSHR P16473 1/20 0.87
▸ NFKB1 P19838 1/20 0.87
▸ THPO P40225 1/20 0.87
▸ NR3C2 P08235 1/20 0.85
▸ CACNA1F O60840 4/20 0.78
▸ CACNA1D Q01668 4/20 0.78
▸ CACNA1S Q13698 4/20 0.78

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
SCHEMBL30648615 1.00 HIF1A (0.87) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL4661064 0.99 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL9698949 0.99 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
Hydrochloric Acid SCHEMBL10464260 0.99 HIF1A (0.85) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089580 0.96 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9085813 0.96 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9085808 0.96 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL9089904 0.96 HIF1A (0.81) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL6455316 0.95 MAPT (0.80) HIF1AMEN1KMT2AMAPTCYP1A2
SCHEMBL10596995 0.95 HIF1A (0.80) HIF1AMEN1KMT2AMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720457-A Manidipine hydrochloride process impurity m-nifedipine and preparation method and application thereof 成都大学 2024-03-19 — — CN claimed
CN-112679416-A Preparation method of benidipine hydrochloride 济南朗科医药技术有限公司 2021-04-20 — — CN claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
CN-111097050-A Composition comprising fatty acid or derivative thereof and phenylpyridine derivative 黄泳华 2020-05-05 — — CN claimed
US-9539222-B2 Methods to inhibit intracellular growth of bacteria and to treat bacteria-mediated diseases AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-01-10 — — US claimed
US-20150209308-A1 METHODS TO INHIBIT INTRACELLULAR GROWTH OF BACTERIA AND TO TREAT BACTERIA-MEDIATED DISEASES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2015-07-30 — — US claimed
EP-1087953-B1 NITRATE SALTS OF ANTIHYPERTENSIVE MEDICINES NICOX SA (FR) 2004-11-17 — — EP claimed
US-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction ANIONA APS (DK) 2002-08-29 — — US claimed
EP-0202625-B1 PROCESS FOR THE PREPARATION OF 2,6-DIMETHYL-4-(3'-NITROPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLIC ACID 3-BETA-(N-BENZYL-N-METHYLAMINO)-ETHYL ESTER 5-METHYL ESTER AND ITS HYDROCHLORIDE SALT LEK, tovarna farmacevtskih in kemicnih izdelkov, n.sol.o. (SI) 1990-08-01 — — EP claimed
US-4769465-A Process for the preparation of 2-(N-benzyl-N-methylamino)-ethyl methyl 2,6-dimethyl-4-(m-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate and its hydrochloride salt LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1988-09-06 — — US claimed
EP-0094159-A1 Dihydropyridine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1983-11-16 — — EP claimed
JP-4005272-A — — None — — JP disclosed
JP-61212561-A — — None — — JP disclosed
CN-117720457-A Manidipine hydrochloride process impurity m-nifedipine and preparation method and application thereof 成都大学 2024-03-19 — — CN disclosed
CN-117209418-A Preparation and purification method of high-purity nicardipine hydrochloride 华仁医学研究(安徽)有限公司 2023-12-12 — — CN disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 — — EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 — — US disclosed
JP-S61212561-A PRODUCTION OF 1,4-DIHYDROPYRIDINE DERIVATIVE TOYO PHARMA- KK 1986-09-20 — — JP disclosed
EP-0172029-A1 1,4-Dihydropyridines JOHN WYETH & BROTHER LIMITED (GB) 1986-02-19 — — EP disclosed
US-4021434-A CEREBRAL VASODILATORS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-05-03 — — 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-20020119989-A1 Chemical compounds having ion channel blocking activity for the treatment of immune dysfunction KCNN2, KCNN1, KCNJ2 HIF1A 2396/4885MEN1 3703/4885KMT2A 1345/4885

“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.