SCHEMBL927313

SCHEMBL927313

N=C(N)Nc1cc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.46
▸ GRIK1 P39086 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DAO P14920 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ SRD5A2 P31213 1/20 0.41
▸ DDO Q99489 1/20 0.41
▸ GRIN2D O15399 1/20 0.40
▸ GRIN3B O60391 1/20 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
SCHEMBL5493171 0.82 KDM4E (0.51) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL4506889 0.82 AOC3 (0.46) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL4506884 0.79 GRIK1 (0.45) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL5515054 0.79 GRIK1 (0.51) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL9269321 0.76 GRIK1 (0.56) GRIK1KDM4EALDH1A1GAAMAPK1
SCHEMBL3068361 0.76 GRIK1 (0.49) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL3073852 0.75 GRIK1 (0.45) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL31487774 0.75 MTNR1A (0.53) GRIK1KDM4EALDH1A1GAAMAPK1
SCHEMBL3082016 0.75 GRIK1 (0.45) AOC3GRIK1KDM4EALDH1A1GAA
SCHEMBL4413986 0.75 MTNR1A (0.53) GRIK1KDM4EALDH1A1GAAMAPK1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113801052-B Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof 西安交通大学 2023-06-27 — — CN claimed
CN-113845464-B Indolyl guanidine compound and preparation method and application thereof 西安交通大学 2023-05-02 — — CN claimed
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 — — US claimed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 — — US claimed
CN-113801052-B Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof 西安交通大学 2023-06-27 — — CN disclosed
CN-113801052-B Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof 西安交通大学 2023-06-27 — — CN disclosed
CN-113801052-B Indolylguanidine compound containing aromatic acid ester, and preparation method and application thereof 西安交通大学 2023-06-27 — — CN disclosed
CN-113845464-B Indolyl guanidine compound and preparation method and application thereof 西安交通大学 2023-05-02 — — CN disclosed
CN-113845464-B Indolyl guanidine compound and preparation method and application thereof 西安交通大学 2023-05-02 — — CN disclosed
CN-113845464-B Indolyl guanidine compound and preparation method and application thereof 西安交通大学 2023-05-02 — — CN disclosed
CN-113845464-A Indolylguanidine compound and preparation method and application thereof 西安交通大学 2021-12-28 — — CN disclosed
CN-113845464-A Indolylguanidine compound and preparation method and application thereof 西安交通大学 2021-12-28 — — CN disclosed
US-7985764-B2 Amide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2011-07-26 — — US disclosed
EP-1849774-B1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD (JP) 2011-06-29 — — EP disclosed
US-7875625-B2 3-guanidinocarbonyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ylmethyl hydrogen sulfate, inhibitory effect on an Na+/H+ exchanger; TOA EIYO LTD. (JP) 2011-01-25 — — US disclosed
US-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-05 — — US disclosed
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same TOA EIYO LTD. (JP) 2009-01-08 — — US disclosed
EP-1988076-A1 AMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 — — EP disclosed
EP-1849774-A1 CYCLOHEPTA(b)PYRIDINE-3-CARBONYLGUANIDINE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME TOA EIYO LTD. (JP) 2007-10-31 — — EP disclosed
EP-0803501-B1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMA (JP) 2000-07-05 — — EP 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 (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-20090062363-A1 AMIDE DERIVATIVE OR SALT THEREOF HTR7, HTR2B, NPSR1 AOC3 3167/4885GRIK1 817/4885KDM4E 3397/4885
US-20090012114-A1 Cyclohepta[B]Pyridine-3-Carbonylguanidine Derivative and Pharmaceutical Product Containing Same SLC10A6, SLC26A3, SLC9A3 AOC3 154/4885GRIK1 1885/4885KDM4E 2194/4885

“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.

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