SCHEMBL6947489

SCHEMBL6947489

COC(=O)C1Cc2ccccc2/C1=N\O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ITGA4 P13612 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.36
CASP6 P55212 1/20 0.36
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
PTK2B Q14289 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL6947493 1.00 MEN1 (0.39) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL25890363 0.87 RAB9A (0.36) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL1000380 0.80 ACHE (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL29476747 0.80 ACHE (0.51) MEN1KMT2AMAPTRAB9AALDH1A1
SCHEMBL9970962 0.75 MTNR1A (0.39) RAB9AACHE
SCHEMBL7818824 0.75 KMT2A (0.43) KMT2AMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL7818827 0.75 KMT2A (0.43) KMT2AMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL5263075 0.74 HRH1 (0.39) MEN1KMT2ARAB9AALDH1A1ACHE
SCHEMBL5263072 0.74 HRH1 (0.39) MEN1KMT2ARAB9AALDH1A1ACHE
SCHEMBL3136218 0.74 P2RX7 (0.46) MEN1KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US 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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MEN1 2801/4885KMT2A 4041/4885MAPT 3520/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D MEN1 2801/4885KMT2A 4041/4885MAPT 3520/4885

“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.