SCHEMBL5370205

SCHEMBL5370205

CCOC(=N)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.51
MEN1 O00255 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGS2 P35354 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
PPARG P37231 1/20 0.45
NMT2 O60551 1/20 0.44
NMT1 P30419 1/20 0.44

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
SCHEMBL22438915 0.83 MEN1 (0.65) MAOBMEN1HSP90AA1KMT2ANR1H4
SCHEMBL8247860 0.81 KDM4E (0.57) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL14280106 0.80 MAOB (0.58) MAOBNR1H4LMNAL3MBTL1ALOX5
Hydrochloric Acid SCHEMBL2770099 0.79 KDM4E (0.55) LMNAALDH1A1CYP1A2HIF1AMAPT
SCHEMBL5035385 0.78 MAOB (0.57) MAOBKMT2A
Hydrochloric Acid SCHEMBL26633553 0.78 MAOB (0.56) MAOBNR1H4LMNAL3MBTL1ALDH1A1
SCHEMBL28256912 0.77 MAOB (0.65) MAOBMEN1HSP90AA1KMT2ANR1H4
SCHEMBL7911106 0.77 ALDH1A1 (0.55) MAOBMEN1HSP90AA1KMT2ANR1H4
SCHEMBL1488776 0.77 MEN1 (0.63) MAOBMEN1HSP90AA1KMT2ANR1H4
SCHEMBL384341 0.77 MAOB (0.78) MAOBL3MBTL1CYP2C19MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294718-B2 Synthesis of a 4-methylthiazole-4(S)-carboxylic acid compound GENZYME CORPORATION (US) 2007-11-13 US disclosed
US-20050209462-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-09-22 US disclosed
EP-1506162-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES Genzyme Corporation (US) 2005-02-16 EP disclosed
US-6846958-B2 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION (US) 2005-01-25 US disclosed
US-20030236426-A1 Synthesis of benzimidate from benzoic acid GENZYME CORPORATION 2003-12-25 US disclosed
WO-2003097582-A2 SYNTHESIS OF BENZONITRILES AND BENZIMIDATES GENZYME CORPORATION (US) 2003-11-27 WO 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-20050209462-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 MAOB 1387/4885MEN1 755/4885HSP90AA1 1597/4885
US-20030236426-A1 Synthesis of benzimidate from benzoic acid FTH1, CISD2, CISD1 MAOB 1387/4885MEN1 755/4885HSP90AA1 1597/4885

“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.