SCHEMBL7213173

SCHEMBL7213173

CCCCCCOc1ccc(C(=NC#N)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PLA2G4B P0C869 6/20 0.50
NR5A1 Q13285 1/20 0.49
SLC2A1 P11166 2/20 0.48
RARB P10826 3/20 0.48
PLA2G4A P47712 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL7213167 1.00 TP53 (0.51) TP53TSHRGAARAB9ANPC1
SCHEMBL6444893 0.75 POLB (0.47) TSHRGAARAB9ANPC1LMNA
SCHEMBL11126885 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL5219438 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL5219396 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL14672532 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL5215917 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL5215164 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL9636880 0.74 TP53 (0.69) TP53TSHRRAB9ANPC1LMNA
SCHEMBL7213360 0.74 TP53 (0.59) TP53TSHRGAARAB9ANPC1

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 TP53 4875/4885TSHR 2565/4885GAA 3492/4885

“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.