SCHEMBL6809507

SCHEMBL6809507

CC(=O)Nc1cccc(OCC(=O)Nc2cccc(C#N)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
NPC1 O15118 3/20 0.73
RAB9A P51151 2/20 0.73
AHR P35869 1/20 0.68
GAA P10253 1/20 0.65
HPGD P15428 1/20 0.60
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
LMNA P02545 2/20 0.58
MCHR1 Q99705 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 1/20 0.55
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL6809487 0.88 GAA (0.62) SMN1; SMN2NPC1RAB9AAHRGAA
SCHEMBL321291 0.86 ALDH1A1 (0.63) SMN1; SMN2NPC1GAAHPGDMAPT
SCHEMBL321631 0.85 HIF1A (0.65) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL30368222 0.83 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL171190 0.83 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AGAAMAPT
SCHEMBL26274509 0.82 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL18328476 0.80 GAA (0.61) SMN1; SMN2NPC1RAB9AGAAHPGD
SCHEMBL4203997 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AAHRGAA
SCHEMBL6808206 0.79 NPC1 (0.74) SMN1; SMN2NPC1RAB9AAHRHPGD
SCHEMBL10755249 0.79 NPC1 (0.74) SMN1; SMN2NPC1RAB9AAHRHPGD

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.