SCHEMBL5524207

SCHEMBL5524207

COc1ccc(NC(=O)C(CC2CCCCC2)C(=O)NCC#N)cn1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.50
CTSL P07711 2/20 0.46
CTSK P43235 3/20 0.45
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
MEN1 O00255 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 4/20 0.42
NPC1 O15118 3/20 0.41
PABPC1 P11940 3/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
AAK1 Q2M2I8 1/20 0.40

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
SCHEMBL5518423 0.89 KMT2A (0.57) KMT2AALDH1A1POLBMEN1KDM4E
SCHEMBL5526343 0.81 CTSK (0.60) KMT2ACTSLCTSKCTSSCTSB
SCHEMBL5520618 0.81 FPR2 (0.53) ALDH1A1POLBCTSLCTSKCTSS
SCHEMBL5523345 0.79 NPY5R (0.60) KMT2AALDH1A1CTSLCTSKCTSS
SCHEMBL5530579 0.79 CTSL (0.52) KMT2APOLBCTSLCTSKCTSS
SCHEMBL5522927 0.77 MEN1 (0.55) KMT2AALDH1A1POLBCTSLCTSK
SCHEMBL5526359 0.77 CTSK (0.60) CTSLCTSKCTSSCTSB
SCHEMBL5524199 0.77 CTSS (0.50) ALDH1A1POLBCTSLCTSKCTSS
SCHEMBL5520633 0.76 CPB2 (0.55) KMT2AALDH1A1CTSLCTSKCTSS
SCHEMBL5520634 0.74 CTSK (0.60) CTSLCTSKCTSSCTSBNPC1

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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 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 (2 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE KMT2A 4623/4885ALDH1A1 4046/4885POLB 2141/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV KMT2A 4281/4885ALDH1A1 3396/4885POLB 2271/4885

“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.