SCHEMBL7219294

SCHEMBL7219294

CC1(C)CCCC1CNC(=O)/C=C/c1ccc(C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAOB P27338 1/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7219298 1.00 HPGD (0.45) HPGDHDAC3HDAC4HDAC1HDAC8
SCHEMBL7219859 0.89 HPGD (0.43) HPGDHDAC3HDAC4HDAC1HDAC8
SCHEMBL7219858 0.89 HPGD (0.43) HPGDHDAC3HDAC4HDAC1HDAC8
SCHEMBL7213375 0.87 NPC1 (0.44) HPGDHDAC3HDAC4HDAC1HDAC8
SCHEMBL7213372 0.87 NPC1 (0.44) HPGDHDAC3HDAC4HDAC1HDAC8
SCHEMBL7215007 0.76 SPHK1 (0.42) HPGDHDAC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7215002 0.76 SPHK1 (0.42) HPGDHDAC1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7213350 0.69 KMT2A (0.43) HPGDHDAC6KMT2ASMN1; SMN2NPC1
SCHEMBL7213367 0.69 KMT2A (0.43) HPGDHDAC6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL9944618 0.66 HDAC8 (0.50) HDAC3HDAC4HDAC1HDAC8HDAC6

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 HPGD 732/4885HDAC3 677/4885HDAC4 1256/4885

“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.