SCHEMBL7213372

SCHEMBL7213372

COC(=O)c1ccc(/C=C/C(=O)NCC2CCCC2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 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
SCHEMBL7213375 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL7219858 0.89 HPGD (0.43) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7219859 0.89 HPGD (0.43) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7219294 0.87 HPGD (0.45) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL7219298 0.87 HPGD (0.45) NPC1RAB9ASMN1; SMN2HDAC3HDAC4
SCHEMBL7218616 0.82 KMT2A (0.47) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL7215007 0.72 SPHK1 (0.42) NPC1RAB9ASMN1; SMN2HDAC1MAPT
SCHEMBL7215002 0.72 SPHK1 (0.42) NPC1RAB9ASMN1; SMN2HDAC1MAPT
SCHEMBL29171641 0.70 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29171643 0.70 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2

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 NPC1 531/4885RAB9A 3323/4885SMN1; SMN2 917/4885

“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.