SCHEMBL7213373

SCHEMBL7213373

CC1(C)CCCC1CNC(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MLYCD O95822 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK11 Q15759 1/20 0.35

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
SCHEMBL7218555 0.79 HDAC3 (0.37) MAPK14HDAC6SMN1; SMN2
SCHEMBL7213350 0.78 KMT2A (0.43) KMT2AMEN1MLYCDHDAC6NPC1
SCHEMBL7213367 0.78 KMT2A (0.43) KMT2AMEN1MLYCDHDAC6NPC1
SCHEMBL7218616 0.76 KMT2A (0.47) KMT2AMEN1NPC1HPGDSMN1; SMN2
SCHEMBL7219875 0.75 KMT2A (0.41) KMT2AMEN1MLYCDHDAC6NPC1
SCHEMBL7218637 0.74 DDX3X (0.44) MAPK14HDAC6
SCHEMBL7215115 0.74 ALDH1A1 (0.39) KMT2AMEN1HDAC6NPC1HPGD
SCHEMBL7219299 0.74 MAPK14 (0.37) MAPK14
SCHEMBL13614176 0.73 RIPK1 (0.47) MAPK14KMT2AMEN1MLYCDHPGD
SCHEMBL7213379 0.73 NPC1 (0.45) KMT2AMEN1NPC1HPGD

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-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 MAPK14 2213/4885KMT2A 2962/4885MEN1 2374/4885

“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.