SCHEMBL6800959

SCHEMBL6800959

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

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.52
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PIN1 Q13526 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 1/20 0.42

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
SCHEMBL6800967 1.00 CAPN1 (0.52) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6799561 0.85 PIN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6799566 0.85 PIN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6796797 0.82 CAPN1 (0.51) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6796803 0.82 CAPN1 (0.51) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL6793815 0.82 CCR1 (0.46) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6793811 0.82 CCR1 (0.46) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL7789992 0.81 NR1H4 (0.58) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL7789989 0.81 NR1H4 (0.58) CAPN1NPC1RAB9AMEN1KMT2A
SCHEMBL7791350 0.79 CAPN1 (0.64) CAPN1NR1H4

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 1/4885NPC1 1797/4885RAB9A 2537/4885

“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.