SCHEMBL7213360

SCHEMBL7213360

CCCCCCOc1ccc(C(=N)OCC)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
TSHR P16473 1/20 0.59
PLA2G4B P0C869 5/20 0.58
NR5A1 Q13285 1/20 0.57
RARB P10826 3/20 0.55
NPC1 O15118 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
RAB9A P51151 1/20 0.55
HSD17B10 Q99714 1/20 0.55
PRMT1 Q99873 3/20 0.53
F2 P00734 2/20 0.53
ST14 Q9Y5Y6 2/20 0.53
PLAU P00749 1/20 0.53
PRMT5 O14744 1/20 0.53
SLC22A2 O15244 1/20 0.53
SLC22A1 O15245 1/20 0.53
TMPRSS2 O15393 1/20 0.53

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
SCHEMBL3743320 0.95 GAA (0.51) TP53TSHRPLA2G4BGAARAB9A
Hydrochloric Acid SCHEMBL3743317 0.93 PRSS1 (0.51) TP53TSHRPLA2G4BGAARAB9A
Hydrochloric Acid SCHEMBL9269065 0.92 RARB (0.58) TP53TSHRPLA2G4BNR5A1RARB
SCHEMBL20333167 0.90 PRMT1 (0.53) TP53TSHRGAAPRMT1F2
SCHEMBL8994969 0.89 PRMT1 (0.51) TP53TSHRGAAPRMT1F2
SCHEMBL20333323 0.85 PRMT1 (0.47) TP53TSHRGAAPRMT1F2
SCHEMBL12461922 0.84 PRSS1 (0.50) GAARAB9APRMT1F2ST14
SCHEMBL8995027 0.82 NPC1 (0.54) TP53TSHRPLA2G4BNPC1LMNA
SCHEMBL5219438 0.81 TP53 (0.69) TP53TSHRPLA2G4BRARBNPC1
SCHEMBL9636880 0.81 TP53 (0.69) TP53TSHRPLA2G4BRARBNPC1

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 2565/4885PLA2G4B 3952/4885

“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.