SCHEMBL497374

SCHEMBL497374

C1=Nc2ccccc2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TRPA1 O75762 7/20 0.42
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.36
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
ACHE P22303 2/20 0.32
BCHE P06276 1/20 0.32
HTR2C P28335 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL29369520 1.00 NOS3 (0.43) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL520026 0.86 TSHR (0.44) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL12471274 0.85 TSHR (0.48) NOS3NOS1NOS2TRPA1NPC1
Propionaldehyde SCHEMBL28859775 0.84 NOS3 (0.37) NOS3NOS1NOS2TRPA1ALDH1A1
SCHEMBL28859774 0.82 NOS3 (0.36) NOS3NOS1NOS2TRPA1SMN1; SMN2
SCHEMBL30708207 0.77 TRPA1 (0.39) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL30015193 0.77 NOS3 (0.41) NOS3NOS1NOS2TRPA1NPC1
SCHEMBL29861109 0.75
SCHEMBL60763 0.75
SCHEMBL14529115 0.74 NOS3 (0.38) NOS3NOS1NOS2TRPA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262801-A1 COMPOUNDS HAVING 5-(2-FLUORO-6-HYDROXYPHENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE AS INHIBITORS OF PROTEIN KINASE PHOSPHATASE ENZYMES MONDEGO BIO, LDA. (PT) 2024-08-08 US claimed
CN-114105089-A Hydrogen storage material and preparation method thereof 株洲铂陆新能源科技有限公司 2022-03-01 CN claimed
CN-108409518-B Transition metal-free reductive cleavage of aromatic C-O, C-N and C-S bonds by reactive silanes 加州理工学院 2021-10-12 CN claimed
CN-110156676-A A kind of 3,4- dihydroquinoline -2 (1H) -one analog derivative and the preparation method and application thereof 绍兴文理学院 2019-08-23 CN claimed
CN-110105277-A Method for preparing 3, 4-dihydroquinoline-2 (1H) -ketone compound by using photocatalytic microchannel 南京工业大学 2019-08-09 CN claimed
CN-106795156-B 2- (morpholin-4-yl) -1, 7-naphthyridine 拜耳制药股份公司 2019-07-30 CN claimed
CN-107987017-B - 2 (1H)-quinolinones compound of a kind of 3,4-dihydro and the preparation method and application thereof 绍兴文理学院 2019-07-12 CN claimed
CN-109836383-A A method of preparing 3,4- dihydroquinoline -2 (1H) -one class compound 安徽理工大学 2019-06-04 CN claimed
CN-109843379-A Substituted ureas and methods of making and using the same 梅比斯发现公司 2019-06-04 CN claimed
CN-109608457-A A kind of drug and preparation method thereof for treating pneumonia 牡丹江医学院 2019-04-12 CN claimed
WO-2014055586-A1 TRANSITION-METAL FREE REDUCTIVE CLEAVAGE OF AROMATIC C-O, C-N, AND C-S BONDS BY ACTIVATED SILANES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-04-10 WO claimed
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM BIOTECH S.R.L. (IT) 2010-08-05 US claimed
EP-2190829-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES Rottapharm S.p.A. (IT) 2010-06-02 EP claimed
WO-2009040331-A2 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ROTTAPHARM S.P.A. (IT) 2009-04-02 WO claimed
EP-1349536-B1 STABLE SKIN CARE COMPOSITIONS CONTAINING A RETINOID AND A RETINOID BOOSTER SYSTEM UNILEVER PLC (GB) 2008-07-23 EP claimed
WO-2008033455-A2 BIPHENYL AND HETEROARYL PHENYL DERIVATIVES AS PROTEIN TYROSINE PHOSPHATASES INHIBITORS THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-03-20 WO claimed
CN-1330291-C Stable skin care compositions containing retinoids and retinoid booster systems UNILEVER PLC (NL) 2007-08-08 CN claimed
EP-0437105-B1 Intermediates and colorants having primary hydroxyl enriched poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-11-13 EP claimed
EP-0445926-B1 Organic materials having sulfonamido linked poly(oxyalkylene) moieties and their preparation MILLIKEN RES CORP (US) 1996-08-21 EP claimed
EP-0566069-A1 Tachykinin receptor antagonists, isoquinolones and their production TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-20 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 (2 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-20240262801-A1 COMPOUNDS HAVING 5-(2-FLUORO-6-HYDROXYPHENYL)-1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE AS INHIBITORS OF PROTEIN KINASE PHOSPHATASE ENZYMES PPM1A, TH, PPM1G NOS3 1358/4885NOS1 695/4885NOS2 1096/4885
US-20100197670-A1 AMIDINE, THIOUREA AND GUANIDINE DERIVATIVES OF 2-AMINOBENZOTHIAZOLES AND AMINOBENZOTHIAZINES FOR THEIR USE AS PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF NEURODEGENERATIVE PATHOLOGIES ABAT, SMN1; SMN2, IAPP NOS3 204/4885NOS1 241/4885NOS2 165/4885

“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.