SCHEMBL13168656

SCHEMBL13168656

Cc1ccccc1/C=N/C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ MAOB P27338 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ MIF P14174 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTGER4 P35408 2/20 0.39
▸ PTGER3 P43115 2/20 0.39
▸ PTGER2 P43116 2/20 0.39
▸ PTGER1 P34995 1/20 0.39

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
SCHEMBL13168668 0.80 KMT2A (0.45) NPC1RAB9AALDH1A1HCAR2L3MBTL1
SCHEMBL13168589 0.80 LMNA (0.54) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL3804958 0.80 LMNA (0.54) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL13168662 0.79 MIF (0.50) NPC1RAB9AALDH1A1HCAR2L3MBTL1
SCHEMBL10762861 0.78 ALDH1A1 (0.56) NPC1RAB9AALDH1A1HCAR2L3MBTL1
SCHEMBL25586848 0.78 ALDH1A1 (0.56) NPC1RAB9AALDH1A1HCAR2L3MBTL1
SCHEMBL13168659 0.76 NPC1 (0.45) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL23425096 0.75 LMNA (0.65) NPC1RAB9AALDH1A1MAOBHCAR2
SCHEMBL20153332 0.74 ALDH1A1 (0.52) ALDH1A1HCAR2L3MBTL1TDP1MAPK1
SCHEMBL13186028 0.74 MIF (0.53) NPC1RAB9AALDH1A1MAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 — — US disclosed
US-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-09-30 — — US disclosed
EP-2208722-A1 PROCESS FOR PRODUCTION OF DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALYST, PROCESS FOR PRODUCTION OF -AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE SALT National University Corporation Nagoya University (JP) 2010-07-21 — — 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 (1 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-20100249431-A1 PROCESS FOR MANUFACTURING DISULFONIC ACID COMPOUND, ASYMMETRIC MANNICH CATALST, PROCESS FOR MANUFACTURING BETA-AMINOCARBONYL DERIVATIVE, AND NOVEL DISULFONATE MGAT2, MPST, MGAT1 NPC1 4064/4885RAB9A 3592/4885ALDH1A1 213/4885

“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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