SCHEMBL6809084

SCHEMBL6809084

CC(=O)Nc1cccc(OCC(=O)Nc2cccc(-c3noc(C)n3)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
TP53 P04637 2/20 0.66
LMNA P02545 2/20 0.66
HTT P42858 2/20 0.66
GAA P10253 1/20 0.66
MAPK1 P28482 1/20 0.66
HAVCR2 Q8TDQ0 13/20 0.65
AHR P35869 1/20 0.58
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 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
SCHEMBL6804740 0.91 HAVCR2 (0.64) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL6807561 0.79 TP53 (0.63) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL6808404 0.79 HAVCR2 (0.60) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL13273862 0.75 MAPT (0.63) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL6808206 0.74 NPC1 (0.74) SMN1; SMN2NPC1RAB9ATP53MAPK1
SCHEMBL7422180 0.74 LMNA (0.64) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL8268112 0.73 MAPT (0.60) SMN1; SMN2NPC1RAB9ATP53LMNA
SCHEMBL6808012 0.73 NPC1 (0.71) SMN1; SMN2NPC1RAB9AAHRMAPT
SCHEMBL21032808 0.73 HAVCR2 (0.84) GAAHAVCR2MAPT
SCHEMBL7056553 0.72 TP53 (0.66) SMN1; SMN2NPC1RAB9ATP53LMNA

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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 US claimed
US-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours MERCK PATENT GMBH (DE) 2004-05-13 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-20040092517-A1 Phenyl derivatives and their use in the treatment of thromboembolic disorders or tumours RCOR3, F2, NCOR2 SMN1; SMN2 2813/4885NPC1 2490/4885RAB9A 4524/4885

“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.