SCHEMBL6793811

SCHEMBL6793811

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PYGL P06737 1/20 0.43
PIN1 Q13526 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
METAP2 P50579 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MME P08473 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
FCER2 P06734 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
SCHEMBL6793815 1.00 CCR1 (0.46) CCR1NPC1RAB9AMEN1KMT2A
SCHEMBL6796803 0.85 CAPN1 (0.51) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6796797 0.85 CAPN1 (0.51) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6799566 0.83 PIN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6799561 0.83 PIN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6800959 0.82 CAPN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6800967 0.82 CAPN1 (0.52) NPC1RAB9AMEN1KMT2APIN1
SCHEMBL6799313 0.78 RAB9A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL24009922 0.71 CTRB1 (0.55) NPC1RAB9APYGLPIN1
SCHEMBL6799592 0.71 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 CCR1 4628/4885NPC1 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.