SCHEMBL12367261

SCHEMBL12367261

C[C@H](CCC=O)NC(=O)c1ccc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.58
RAB9A P51151 10/20 0.58
SMN1; SMN2 Q16637 6/20 0.57
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
HSD17B10 Q99714 2/20 0.57
TP53 P04637 5/20 0.56
MAPT P10636 4/20 0.55
TSHR P16473 3/20 0.55
MAPK1 P28482 1/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
PCSK9 Q8NBP7 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.54
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53

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
SCHEMBL12367202 0.82 KMT2A (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3092791 0.81 MMP2 (0.71) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13822039 0.81 KMT2A (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2247853 0.78 MMP2 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2245546 0.75 NPC1 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19746324 0.74 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL31613770 0.74 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2245550 0.74 MMP2 (0.58) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL13752628 0.73 NPC1 (0.64) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL15798260 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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-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
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 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 NPC1 3103/4885RAB9A 3609/4885SMN1; SMN2 2624/4885

“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.