SCHEMBL1024573

SCHEMBL1024573

CC(C)NC(=N)NC(=N)N

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL17459898 0.84 NOS3 (0.31) NOS3NOS1NOS2
SCHEMBL3058558 0.83 CA12 (0.32)
SCHEMBL28774141 0.82
SCHEMBL2897410 0.82
SCHEMBL28628369 0.80
SCHEMBL17336993 0.80 CRBN (0.40)
Hydrochloric Acid SCHEMBL6264288 0.78
Hydrochloric Acid SCHEMBL6266097 0.78
SCHEMBL1708937 0.77
Hydrochloric Acid SCHEMBL11804483 0.77 CA12 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-08-06 US claimed
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-11-23 US claimed
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-0625967-A1 N,N'-SUBSTITUTED IMIDOCARBONIMIDIC DIAMIDES DERIVED FROM HYDROXYLAMINES. JACOBUS PHARMA CO INC (US) 1994-11-30 EP claimed
CN-117062940-A Composition and method for treating substrate 富士胶片株式会社 2023-11-14 CN disclosed
CN-115746855-A Treatment liquid 富士胶片株式会社 2023-03-07 CN disclosed
WO-2022256419-A1 DUAL WNT SIGNALING PATHWAY INHIBITORS AND AMPK ACTIVATORS FOR TREATMENTS OF DISEASE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2022-12-08 WO disclosed
CN-114364780-A Treatment liquid, kit, method for producing treatment liquid, method for cleaning substrate, and method for treating substrate 富士胶片株式会社 2022-04-15 CN disclosed
WO-2021049208-A1 TREATMENT LIQUID, KIT, TREATMENT LIQUID PRODUCTION METHOD, SUBSTRATE CLEANING METHOD, AND SUBSTRATE TREATMENT METHOD 富士フイルム株式会社 2021-03-18 WO disclosed
CN-108485840-B Cleaning formulation for removing residues on surfaces 富士胶片电子材料美国有限公司 2020-12-29 CN disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
CN-1457773-A Biguanide vanadium complex granular powder and/or capsule for curing diabetes and its use YUE YI (CN) 2003-11-26 CN disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
CN-1285866-A Disinfecting contact lenses with bis (biguanides) and polymeric biguanides BAUSCH & LOMB (US) 2001-02-28 CN 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 (6 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-10369121-B2 Pharmaceutical composition for preventing or treating immune diseases or inflammatory diseases, containing biguanide derivative compound as active ingredient IL17A, TNF, IL2 NOS3 233/4885NOS1 327/4885NOS2 212/4885
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE KRT18, INMT, INHA NOS3 323/4885NOS1 166/4885NOS2 147/4885
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine KRT18, KIT, PRDM7 NOS3 1293/4885NOS1 591/4885NOS2 621/4885
US-20170333370-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING IMMUNE DISEASES OR INFLAMMATORY DISEASES, CONTAINING BIGUANIDE DERIVATIVE COMPOUND AS ACTIVE INGREDIENT IL17A, TNF, IL2 NOS3 233/4885NOS1 327/4885NOS2 212/4885
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine KRT18, INHA, H1-5 NOS3 1322/4885NOS1 681/4885NOS2 767/4885
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin BHMT, KRT18, INMT NOS3 634/4885NOS1 200/4885NOS2 119/4885

“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.