SCHEMBL4100270

SCHEMBL4100270

N=C(N)NC(=N)Nc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
IDO1 P14902 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
F13A1 P00488 2/20 0.41
TGM2 P21980 2/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
Hydrochloric Acid SCHEMBL19371447 0.98 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3068902 0.89 F2 (0.43) MAPTALDH1A1CYP3A4CYP2C19F2
SCHEMBL13584249 0.87 MEN1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL13584479 0.85 MEN1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4100266 0.85 MEN1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1676492 0.83 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2279831 0.83 MEN1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28592175 0.82 PEPD (0.52) MEN1KMT2AMAOAMAOBMAPT
Hydrochloric Acid SCHEMBL1115166 0.81 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5463340 0.81 IDO1 (0.61) IDO1MEN1KMT2AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112108187-B Copper-supported catalyst of biguanide-based covalent organic framework material and preparation method and application thereof 江南大学 2021-09-07 CN claimed
CN-112108188-B Biguanide group covalent organic framework material supported palladium catalyst and application thereof 江南大学 2021-08-10 CN claimed
CN-112108188-A Biguanide group covalent organic framework material supported palladium catalyst and application thereof 江南大学 2020-12-22 CN claimed
CN-112108187-A Copper-supported catalyst of biguanide-based covalent organic framework material and preparation method and application thereof 江南大学 2020-12-22 CN claimed
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. 2020-09-03 US claimed
US-10626085-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2020-04-21 US claimed
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF IMMUNOMET THERAPEUTICS INC. (US) 2018-02-15 US claimed
EP-3222614-A2 BIGUANIDE COMPOUND AND USE THEREOF Immunomet Therapeutics Inc. (US) 2017-09-27 EP claimed
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF THE CATHOLIC UNIVERSITY OF KOREA INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2017-04-27 US claimed
CN-102725263-A Biguanide derivative, method for preparing the same, and pharmaceutical composition comprising the biguanide derivative as an active ingredient HANALL BIOPHARMA CO LTD 2012-10-10 CN claimed
CN-1038248-C Diguanide derivatives, process of preparation thereof and disinfetants containing them OTSUKA CHEMCIAL CO LTD (JP) 1998-05-06 CN claimed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 CN claimed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US disclosed
US-11572341-B2 Biguanide compound and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2023-02-07 US 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
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed
CN-1038248-C Diguanide derivatives, process of preparation thereof and disinfetants containing them OTSUKA CHEMCIAL CO LTD (JP) 1998-05-06 CN disclosed
CN-1065453-A Biguanide derivative, its manufacture method and the Herb of Common violet that contains this derivative OTSUKA CHEMICAL CO LTD (JP) 1992-10-21 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-10626085-B2 Biguanide compound and use thereof MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-20180044283-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-11572341-B2 Biguanide compound and use thereof MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885
US-20170114008-A1 NOVEL COMPOUND HAVING IMMUNE DISEASE TREATMENT EFFECT AND USE THEREOF NFATC1, CD14, CD209 GRIN2D 3847/4885GRIN3B 2437/4885GRIN1 2762/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA GRIN2D 1756/4885GRIN3B 1408/4885GRIN1 1938/4885
US-20200277255-A1 BIGUANIDE COMPOUND AND USE THEREOF MKI67, GCG, GCKR GRIN2D 1427/4885GRIN3B 497/4885GRIN1 770/4885

“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.