SCHEMBL58127

SCHEMBL58127

Cc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
TSHR P16473 8/20 0.47
CYP3A4 P08684 4/20 0.47
ALDH1A1 P00352 3/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL458354 0.85 HSD17B10 (0.52) HSD17B10TSHRCYP3A4ALDH1A1RECQL
SCHEMBL57882 0.82 TSHR (0.40) HSD17B10TSHRCYP3A4ALDH1A1TDP1
SCHEMBL6800906 0.80 TDP1 (0.38) HSD17B10TSHRCYP3A4ALDH1A1TDP1
SCHEMBL7814797 0.79 HSD17B10 (0.50) HSD17B10TSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1086344 0.78 HSD17B10 (0.34) HSD17B10TSHRCYP3A4ALDH1A1RECQL
SCHEMBL1028967 0.78 TDP1 (0.50) HSD17B10TSHRCYP3A4ALDH1A1RECQL
SCHEMBL456636 0.78 PDK1 (0.41) HSD17B10TSHRCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1028675 0.77 GPR35 (0.47) HSD17B10TSHRCYP3A4ALDH1A1RECQL
SCHEMBL5675005 0.77 TDP1 (0.35) HSD17B10TSHRCYP3A4ALDH1A1TDP1
SCHEMBL710076 0.77 ALDH1A1 (0.47) HSD17B10TSHRCYP3A4ALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720495-A Preparation method of novel amide-containing coumarin derivative, antibacterial effect of composition and application of composition in aspect of promoting plant growth 贵州工业职业技术学院 2024-03-19 CN claimed
CN-115583922-B Fluorine-containing N- (3- (benzoxazol-2-yl) phenyl) amide compound and preparation method and application thereof 黄山学院 2023-09-19 CN claimed
CN-116239591-A (4R) -sulfonamido-L-prolinamide compound, preparation method, application and pharmaceutical composition thereof 嘉兴学院 2023-06-09 CN claimed
CN-112778125-B Aryl phenol compound and synthesis method and application thereof 华东师范大学 2023-02-17 CN claimed
CN-115583922-A Fluorine-containing N- (3- (benzoxazole-2-yl) phenyl) amide compound and preparation method and application thereof 黄山学院 2023-01-10 CN claimed
US-11230526-B1 Cylcoalkenyl derivatives useful as agonists of the GPR120 and/or GPR40 receptors JANSSEN PHARMACEUTICA NV (BE) 2022-01-25 US claimed
CN-110476977-B Application of 2- (1-adamantane carboxamide) ethyl formate compound as bactericide 浙江工业大学 2021-08-10 CN claimed
CN-112778125-A Aryl phenol compound and synthesis method and application thereof 华东师范大学 2021-05-11 CN claimed
CN-110423216-B 2- (1-adamantane carboxamide) ethyl formate compound and preparation method and application thereof 浙江工业大学 2021-01-05 CN claimed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP claimed
WO-2001027118-A2 BICYCLIC IMIDAZO-5-YL-AMINE DERIVATIVES Grünenthal GmbH (DE) 2001-04-19 WO claimed
US-6184387-B1 2-(1,2-benzisothiazol-3(2H)-ylidene 1,1-dioxide)acetamides negative charge control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY 2001-02-06 US claimed
WO-2001002375-A1 PROCESS FOR SYNTHESIZING OXADIAZOLES CHEMRX ADVANCED TECHNOLOGIES, INC. (US) 2001-01-11 WO claimed
US-6120964-A TONERS WITH BINDERS EASTMAN KODAK COMPANY (US) 2000-09-19 US claimed
WO-1999011633-A1 TRIAZINES WITH AN ADENOSINE ANTAGONISTIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-03-11 WO claimed
US-4818748-A HYPOTENSIVE AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1989-04-04 US claimed
US-4716168-A STIMULANTS OF IMMUNE RESPONSE NORWICH EATON PHARMACEUTICALS, INC. (US) 1987-12-29 US claimed
EP-0236874-A2 Renin inhibitors, their production and use, as well as derivatives of amino acids and amino aldehydes BAYER AG (DE) 1987-09-16 EP claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
EP-0065197-A1 Substituted 1,3-dioxanes, process for their preparation, herbicides containing them and their use as herbicides BASF Aktiengesellschaft (DE) 1982-11-24 EP claimed

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-11230526-B1 Cylcoalkenyl derivatives useful as agonists of the GPR120 and/or GPR40 receptors GPR119, GPR65, GPR55 HSD17B10 430/4885TSHR 645/4885CYP3A4 2854/4885

“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.