SCHEMBL7214965

SCHEMBL7214965

CCCCc1cc(-c2ccc(C(=O)NCC3CCCC3(C)C)cc2)on1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 6/20 0.41
HTT P42858 2/20 0.39
HIF1A Q16665 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 1/20 0.38
XBP1 P17861 1/20 0.38

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
SCHEMBL7219299 0.83 MAPK14 (0.37)
SCHEMBL7213194 0.80 MAPK14 (0.52) RAB9A
SCHEMBL7218555 0.78 HDAC3 (0.37) SMN1; SMN2
SCHEMBL7218637 0.77 DDX3X (0.44) RAB9A
SCHEMBL7213178 0.77 MAPK14 (0.33) SMN1; SMN2
SCHEMBL7213379 0.74 NPC1 (0.45) NPC1TP53RAB9AHPGDALDH1A1
SCHEMBL7215115 0.74 ALDH1A1 (0.39) NPC1RAB9AHPGDALDH1A1ATM
SCHEMBL7213350 0.73 KMT2A (0.43) NPC1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL7213182 0.73 RARB (0.54) NPC1SMN1; SMN2TP53RAB9AALDH1A1
SCHEMBL7213367 0.73 KMT2A (0.43) NPC1SMN1; SMN2HPGDALDH1A1MAPT

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 531/4885SMN1; SMN2 917/4885TP53 4875/4885

“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.