SCHEMBL6402528

SCHEMBL6402528

CC(C)(C)Cc1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
NOTUM Q6P988 3/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
TP53 P04637 2/20 0.37
QPCT Q16769 1/20 0.37
KDM4E B2RXH2 4/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 3/20 0.36
TSHR P16473 2/20 0.36
NLRP3 Q96P20 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL18348889 0.74 TSHR (0.67) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL19798382 0.73 ALDH1A1 (0.61) SMN1; SMN2NOTUMNPC1RAB9ATP53
SCHEMBL6403744 0.72 TP53 (0.57) SMN1; SMN2NOTUMNPC1RAB9ATP53
SCHEMBL15377081 0.72 NPC1 (0.60) SMN1; SMN2NOTUMNPC1RAB9ATP53
SCHEMBL6402526 0.72 BCHE (0.39) SMN1; SMN2NOTUMNPC1RAB9AHTT
SCHEMBL6402720 0.72 SUCNR1 (0.46) SMN1; SMN2NOTUMNPC1RAB9ATP53
SCHEMBL23119859 0.71 NPC1 (0.56) SMN1; SMN2NPC1RAB9AHTTTP53
SCHEMBL18701543 0.71 KMT2A (0.57) SMN1; SMN2NOTUMNPC1RAB9AHTT
SCHEMBL1847192 0.71 HPGD (0.42) SMN1; SMN2NOTUMNPC1RAB9AHTT
SCHEMBL13766291 0.70 NPC1 (0.61) SMN1; SMN2NPC1RAB9AHTTTP53

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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 WO 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ SMN1; SMN2 4636/4885NOTUM 1001/4885NPC1 662/4885

“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.