SCHEMBL12367202

SCHEMBL12367202

C[C@H](CCC=O)NC(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
PTPN1 P18031 4/20 0.58
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
POLB P06746 1/20 0.52
DEGS1 O15121 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ASF1A Q9Y294 1/20 0.51
HSP90AA1 P07900 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50

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
SCHEMBL13822039 0.84 KMT2A (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12367261 0.82 NPC1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL13821939 0.79 PTPN1 (0.57) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29355026 0.79 RAB9A (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12706196 0.77 RAB9A (0.67) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5694517 0.76 NPC1 (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL28051416 0.76 PTPN1 (0.86) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL18085798 0.76 PTPN1 (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12706065 0.76 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL12366268 0.76 RAB9A (1.00) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 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 (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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 KMT2A 2364/4885MEN1 2734/4885NPC1 3103/4885

“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.