SCHEMBL6808723

SCHEMBL6808723

NCc1cccc(NC(=O)COc2cccc(NC(N)=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.60
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
HPGD P15428 2/20 0.55
AHR P35869 1/20 0.54
MAPK1 P28482 2/20 0.52
TP53 P04637 2/20 0.52
MAPT P10636 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.48
CFD P00746 1/20 0.48

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
SCHEMBL2557430 0.83 CFD (0.55) MAPTCFD
SCHEMBL6806801 0.83 MAPT (0.62) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL6809002 0.81 F10 (0.60) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL6809487 0.80 GAA (0.62) SMN1; SMN2NPC1RAB9AHPGDAHR
SCHEMBL12614841 0.78 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9AHPGDMAPK1
SCHEMBL8119011 0.77 SIRT2 (0.64) NPC1RAB9AMAPK1
SCHEMBL6802349 0.76 F9 (0.49)
SCHEMBL6616170 0.75 ALDH1A1 (0.66) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL12171495 0.74 HIF1A (0.75) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL8030342 0.74 CFD (0.60) HPGDMAPK1MAPTCFD

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.