SCHEMBL13168668

SCHEMBL13168668

O=C(/N=C/c1cccc2ccccc12)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.45
▸ MEN1 O00255 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ POLB P06746 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GCGR P47871 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42

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
SCHEMBL13168656 0.80 NPC1 (0.48) KMT2AALDH1A1HPGDNPC1RAB9A
SCHEMBL3804958 0.77 LMNA (0.54) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL13168589 0.77 LMNA (0.54) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL14353095 0.75 NPC1 (0.55) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL14353097 0.75 NPC1 (0.55) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL22256459 0.73 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL20153332 0.72 ALDH1A1 (0.52) KMT2AALDH1A1POLBLMNAHCAR2
SCHEMBL10762861 0.72 ALDH1A1 (0.56) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL25586848 0.72 ALDH1A1 (0.56) KMT2AALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL26342343 0.72 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1MAPTHPGD

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 KMT2A 53/4885MEN1 1250/4885ALDH1A1 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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