SCHEMBL3389005

SCHEMBL3389005

CO/N=C(\C)c1cc[c]cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PTBP1 P26599 1/20 0.37
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GSK3B P49841 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ FURIN P09958 1/20 0.31
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL1147590 1.00 LMNA (0.39) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL9411077 1.00 LMNA (0.39) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL12750110 0.84 LMNA (0.48) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL5958328 0.78 LMNA (0.48) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL5958327 0.78 LMNA (0.48) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL5958142 0.78 LMNA (0.36) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL5958145 0.78 LMNA (0.36) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL18543666 0.78 LMNA (0.36) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL5732924 0.77 LMNA (0.63) LMNAL3MBTL1MAPK1HTTSMN1; SMN2
SCHEMBL2615557 0.77 LMNA (0.63) LMNAL3MBTL1MAPK1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 — — EP claimed
EP-2640707-B1 5-HALOGENOPYRAZOLECARBOXAMIDES BAYER IP GMBH (DE) 2017-03-15 — — EP disclosed
EP-2010514-B1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2010-12-29 — — EP disclosed
US-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides BASF AKTIENGESELLSCHAFT (DE) 2009-04-30 — — US disclosed
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides BASF SE (DE) 2009-04-23 — — US disclosed
EP-2010515-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 — — EP disclosed
EP-2010514-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2009-01-07 — — EP disclosed
WO-2007116079-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 — — WO disclosed
WO-2007116078-A1 3-(PYRIDIN-2-YL)-[1,2,4]-TRIAZINES FOR USE AS FUNGICIDES BASF SE (DE) 2007-10-18 — — WO disclosed
US-20060122065-A1 Amide compound and method of controlling plant disease with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-06-08 — — US disclosed
EP-1577290-A1 AMIDE COMPOUND AND METHOD OF CONTROLLING PLANT DISEASE WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2005-09-21 — — EP disclosed
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide KUREHA CORPORATION (JP) 2005-05-12 — — US disclosed
EP-0581464-A1 Ester derivatives and pharmaceutical compositions containing them ZENECA LIMITED (GB) 1994-02-02 — — 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 (4 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-20090111692-A1 3-(Pyridin-2-Yl)-[1,2,4]-Triazines as Fungicides CBR3, CBR1, TH LMNA 3387/4885L3MBTL1 1295/4885MAPK1 2424/4885
US-20050101783-A1 N-(heterocycle-methyl)alkylamine derivative, process for producing the same, and bactericide HBZ, ACMSD, HDHD5 LMNA 2729/4885L3MBTL1 1563/4885MAPK1 1370/4885
US-20060122065-A1 Amide compound and method of controlling plant disease with the same CBR3, C5, CLN6 LMNA 2837/4885L3MBTL1 12/4885MAPK1 2669/4885
US-20090105072-A1 2-(Pyridin-2-Yl)-Pyrimidines for Use as Fungicides CBR3, CBR1, CNPY2 LMNA 3547/4885L3MBTL1 1316/4885MAPK1 3777/4885

“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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