SCHEMBL6809002

SCHEMBL6809002

N=C(N)c1cccc(NC(=O)COc2cccc(NC(N)=O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.60
PRSS1 P07477 4/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
RAB9A P51151 2/20 0.56
PLAU P00749 1/20 0.55
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.54
AHR P35869 1/20 0.53
HIF1A Q16665 1/20 0.53
EPAS1 Q99814 1/20 0.53
FURIN P09958 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
SCHEMBL6808012 0.90 NPC1 (0.71) F10PRSS1MAPTNPC1SMN1; SMN2
SCHEMBL6806801 0.90 MAPT (0.62) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL7477445 0.81 F10 (0.71) F10PRSS1MAPTNPC1SMN1; SMN2
SCHEMBL6808723 0.81 SMN1; SMN2 (0.60) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL6808206 0.80 NPC1 (0.74) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL4293714 0.79 MAPT (0.78) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL6809487 0.79 GAA (0.62) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL10701012 0.76 MAPT (0.78) MAPTNPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2957651 0.76 MAPT (0.68) MAPTNPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7475225 0.75 F10 (1.00) F10PRSS1MAPTSMN1; SMN2ALDH1A1

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 F10 64/4885PRSS1 1089/4885MAPT 4839/4885

“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.