SCHEMBL6570855

SCHEMBL6570855

COc1ccc(C(=O)c2ccccc2NCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
NPC1 O15118 2/20 0.64
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
F10 P00742 1/20 0.50
RECQL P46063 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
VNN1 O95497 1/20 0.48
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
PPARG P37231 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL698881 0.85 AGTR1 (0.60) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL8923851 0.84 AKR1C3 (0.57) KMT2AMEN1NPC1ALDH1A1NPSR1
SCHEMBL9716675 0.82 LIG1 (0.53) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL10660692 0.81 AGTR1 (0.59) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL9716698 0.81 AGTR1 (0.49) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6174044 0.81 AGTR1 (0.59) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL10541904 0.81 NPC1 (0.61) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL6610969 0.80 KDM4E (0.54) KMT2AMEN1NPC1ALDH1A1MAPT
SCHEMBL9002743 0.79 KMT2A (0.54) KMT2AMEN1NPC1ALDH1A1SMN1; SMN2
SCHEMBL9686341 0.79 KMT2A (0.58) KMT2AMEN1NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0838448-B1 Process for the separation of a mixture of enantiomers DSM IP ASSETS BV (NL) 2004-04-21 EP disclosed
US-6465684-B2 DIASTEREOMER COMPLEX OF AT LEAST THREE COMPOUNDS, AT LEAST ONE IS A RESOLVING AGENT IN OPTICALLY ACTIVE FORM, AND AT LEAST ONE IS AN ENANTIOMER IN OPTICALLY ACTIVE FORM; RAPID SEPARATION DSM N.V. (NL) 2002-10-15 US disclosed
US-20010051747-A1 Process for the separation of a mixture of enantiomers DSM N.V. 2001-12-13 US disclosed
US-6235927-B1 OPTICAL RESOLUTION OF ENANTIOMORPHS OF COMPLEXES DSM N.V. (NL) 2001-05-22 US disclosed
EP-0838448-A1 Process for the separation of a mixture of enantiomers DSM N.V. (NL) 1998-04-29 EP disclosed
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 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-20010051747-A1 Process for the separation of a mixture of enantiomers EPHX2, VKORC1, ALDH1A2 KMT2A 4602/4885MEN1 2361/4885NPC1 1353/4885

“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.