SCHEMBL9633882

SCHEMBL9633882

NOS(=O)(=O)c1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
LMNA P02545 2/20 0.56
HTR6 P50406 2/20 0.56
MPO P05164 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA2 P00918 5/20 0.54
CA9 Q16790 5/20 0.54
CA1 P00915 4/20 0.54
CA12 O43570 4/20 0.54
CA14 Q9ULX7 2/20 0.54
AGO2 Q9UKV8 2/20 0.54
CA4 P22748 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
USP2 O75604 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA5B Q9Y2D0 1/20 0.54

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
Tetramethylammonium Ion SCHEMBL28756820 0.91 TSHR (0.48) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL9180970 0.89 ALDH1A1 (0.40) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL27813123 0.82 TSHR (0.59) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL12732183 0.82 CA2 (0.52) LMNACA2CA9CA1CA12
SCHEMBL14510080 0.78 TSHR (0.54) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL928206 0.78 CA1 (0.56) LMNACYP3A4CYP2C9CA2CA9
SCHEMBL22632046 0.78 CA2 (0.56) LMNACA2CA9CA1CA12
SCHEMBL5388525 0.78 TSHR (0.56) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL29062676 0.78 TSHR (0.54) TSHRLMNAHTR6MPOCYP3A4
SCHEMBL28318454 0.78 ALDH1A1 (0.56) TSHRLMNACYP2C9CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239843-A High-temperature-resistant composite rubber material, preparation method thereof and synchronous belt applied to high-temperature-resistant composite rubber material 浙江威格尔传动股份有限公司 2023-06-09 CN claimed
CN-106700415-A High-toughness melamine resin and preparing method thereof 浙江工业大学 2017-05-24 CN claimed
CN-114252416-B Fluorescence measurement method for nitrite 湖北富博化工有限责任公司 2024-05-31 CN disclosed
CN-116239843-A High-temperature-resistant composite rubber material, preparation method thereof and synchronous belt applied to high-temperature-resistant composite rubber material 浙江威格尔传动股份有限公司 2023-06-09 CN disclosed
CN-114252416-A Nitrite radical fluorescence measuring method 湖北富博化工有限责任公司 2022-03-29 CN disclosed
CN-113336680-A Environment-friendly technological synthesis method of sulfanilamide 寿光永康化学工业有限公司 2021-09-03 CN disclosed
CN-108619893-A Filter absorption substrate and preparation method 深圳市迪莫斯环保科技有限公司 2018-10-09 CN disclosed
US-20170283408-A1 BENZO-HETEROCYCLIC COMPOUNDS AND THEIR APPLICATIONS Lu, Yen-Ta (TW) 2017-10-05 US disclosed
US-20170283408-A1 BENZO-HETEROCYCLIC COMPOUNDS AND THEIR APPLICATIONS Lu, Yen-Ta (TW) 2017-10-05 US disclosed
CN-105130852-B Paper making felt clean-preserving agent, oleamide class benzenesulfonic acid and preparation method thereof 吉林坤刚化学有限公司 2017-03-08 CN disclosed
CN-106324157-A Method for quickly detecting volatile N-nitrosamine in cosmetics 安徽易康达光电科技有限公司 2017-01-11 CN disclosed
US-4775458-A POLYALKENYLTHIOPHOSPHONIC ACID, OR ITS ESTERS OR SALTS; ANTIOXIDANT, CORROSION INHIBITOR, METAL DEACTIVATOR BETZ LABORATORIES, INC. (US) 1988-10-04 US disclosed
EP-0271998-A1 Antifoulant compositions and their use BETZ EUROPE, INC. (US) 1988-06-22 EP disclosed
EP-0269332-A1 Method for controlling fouling deposit formation in petroleum hydrocarbons or petrochemicals BETZ EUROPE, INC. (US) 1988-06-01 EP disclosed
EP-0267673-A1 Mixed overbase complex antifoulant compositions and use thereof PETROLITE CORPORATION (US) 1988-05-18 EP disclosed
EP-0267674-A1 Antifoulant compositions and uses thereof PETROLITE CORPORATION (US) 1988-05-18 EP disclosed
EP-0266872-A1 Mixed base complex antifoulant compositions and use thereof PETROLITE CORPORATION (US) 1988-05-11 EP disclosed
US-4578178-A POLYISOBUTENYLTHIOPHOSPHONATE BETZ LABORATORIES, INC. (US) 1986-03-25 US disclosed
US-4107030-A AMMONIUM OR AMINE SALT OF SULFANILIC ACID, N-ALKYLSULFANILIC ACID OR N-HYDROXY ALKYL SULFANILIC ACID NALCO CHEMICAL COMPANY (US) 1978-08-15 US disclosed
US-4107030-A AMMONIUM OR AMINE SALT OF SULFANILIC ACID, N-ALKYLSULFANILIC ACID OR N-HYDROXY ALKYL SULFANILIC ACID NALCO CHEMICAL COMPANY (US) 1978-08-15 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-20170283408-A1 BENZO-HETEROCYCLIC COMPOUNDS AND THEIR APPLICATIONS CD274, PDCD1, PDCD1LG2 TSHR 3768/4885LMNA 3029/4885HTR6 4563/4885

“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.