SCHEMBL6796797

SCHEMBL6796797

NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(NC(=O)c2ccc3ccccc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 9/20 0.51
CTSB P07858 2/20 0.51
CTSL P07711 1/20 0.51
PIN1 Q13526 4/20 0.47
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTRA1 Q92743 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6796803 1.00 CAPN1 (0.51) CAPN1CTSBCTSLPIN1NPC1
SCHEMBL6793811 0.85 CCR1 (0.46) PIN1NPC1RAB9AMEN1KMT2A
SCHEMBL6793815 0.85 CCR1 (0.46) PIN1NPC1RAB9AMEN1KMT2A
SCHEMBL6799566 0.83 PIN1 (0.52) PIN1NPC1RAB9AMEN1KMT2A
SCHEMBL6799561 0.83 PIN1 (0.52) PIN1NPC1RAB9AMEN1KMT2A
SCHEMBL6800959 0.82 CAPN1 (0.52) CAPN1PIN1NPC1RAB9AMEN1
SCHEMBL6800967 0.82 CAPN1 (0.52) CAPN1PIN1NPC1RAB9AMEN1
SCHEMBL6799313 0.78 RAB9A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL6943275 0.77 NR1H4 (0.60) CAPN1CTSBCTSLPIN1HTRA1
SCHEMBL6799592 0.73 RAB9A (0.77) NPC1RAB9AMEN1KMT2ASMN1; 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 CAPN1 1/4885CTSB 105/4885CTSL 182/4885

“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.