SCHEMBL6808404

SCHEMBL6808404

Cc1nc(-c2cccc(NC(=O)COc3ccc(-c4ccccc4S(C)(=O)=O)cc3)c2)no1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 13/20 0.60
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6807931 0.83 F10 (0.49) HAVCR2NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL6804794 0.80 F10 (0.59) NPC1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL6809084 0.79 SMN1; SMN2 (0.66) HAVCR2NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL6808403 0.79 TP53 (0.45) HAVCR2NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL6805032 0.78 F10 (0.70) MAPT
SCHEMBL6808035 0.78 GAA (0.56) NPC1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL6804740 0.78 HAVCR2 (0.64) HAVCR2NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL6801213 0.78 SMN1; SMN2 (0.54) NPC1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL6298117 0.77 F10 (0.56) NPC1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL7098774 0.74 PDE4A (0.46) NPC1SMN1; SMN2MAPTRAB9AKMT2A

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 HAVCR2 226/4885NPC1 2490/4885SMN1; SMN2 2813/4885

“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.