SCHEMBL5289472

SCHEMBL5289472

Cc1ccc2oc(=O)n(CC(=O)O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.63
▸ CD74 P04233 2/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ KMT2A Q03164 3/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ POLB P06746 1/20 0.58
▸ RAB9A P51151 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMO O15229 1/20 0.51

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
SCHEMBL5302441 0.88 MIF (0.63) MIFCD74L3MBTL1KMT2AMEN1
SCHEMBL16250472 0.87 HPGD (0.64) MIFCD74L3MBTL1KMT2AMEN1
SCHEMBL16186527 0.83 L3MBTL1 (0.74) MIFCD74L3MBTL1KMT2AMEN1
SCHEMBL29670895 0.82 KMO (0.74) KMT2AMEN1ALDH1A1KMO
SCHEMBL30660242 0.82 CBX7 (0.62) KMT2AMEN1NPC1KMO
SCHEMBL5416540 0.82 CBX7 (0.62) KMT2AMEN1NPC1KMO
SCHEMBL2953606 0.82 KMO (0.74) KMT2AMEN1ALDH1A1KMO
SCHEMBL2950965 0.81 KMO (0.76) MIFCD74KMO
SCHEMBL29957877 0.81 KMO (0.76) MIFCD74KMO
SCHEMBL13367744 0.81 MIF (0.66) MIFCD74L3MBTL1KMT2AMEN1

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-9708307-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2017-07-18 — — US disclosed
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2015-02-12 — — US disclosed
US-8937087-B2 Heterocyclic acetamide compound ASTELLAS PHARMA INC. (JP) 2015-01-20 — — US disclosed
US-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-10-23 — — US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 — — WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 — — 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 (3 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-20140315963-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD1, DRD2, OPRD1 MIF 4509/4885CD74 4439/4885L3MBTL1 2687/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MIF 636/4885CD74 475/4885L3MBTL1 2280/4885
US-20150045402-A1 HETEROCYCLIC ACETAMIDE COMPOUND DRD2, DRD1, OPRD1 MIF 4256/4885CD74 4380/4885L3MBTL1 2901/4885

“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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