SCHEMBL6808012

SCHEMBL6808012

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

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
RAB9A P51151 2/20 0.71
AHR P35869 1/20 0.67
MAPT P10636 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 1/20 0.58
F10 P00742 8/20 0.58
PRSS1 P07477 4/20 0.58
FURIN P09958 1/20 0.56
PLAU P00749 1/20 0.56
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL6808206 0.90 NPC1 (0.74) NPC1SMN1; SMN2RAB9AAHRMAPT
SCHEMBL6809002 0.90 F10 (0.60) NPC1SMN1; SMN2RAB9AAHRMAPT
SCHEMBL1436168 0.83 ALDH1A1 (0.59) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
Hydrochloric Acid SCHEMBL3576551 0.82 ALDH1A1 (0.57) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL6806801 0.80 MAPT (0.62) NPC1SMN1; SMN2RAB9AAHRMAPT
SCHEMBL7477445 0.80 F10 (0.71) NPC1SMN1; SMN2RAB9AMAPTF10
SCHEMBL10755249 0.78 NPC1 (0.74) NPC1SMN1; SMN2RAB9AAHRMAPT
SCHEMBL4293714 0.77 MAPT (0.78) NPC1SMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL6809507 0.77 SMN1; SMN2 (0.73) NPC1SMN1; SMN2RAB9AAHRMAPT
SCHEMBL3951459 0.76 NPC1 (0.76) NPC1SMN1; SMN2RAB9AAHRMAPT

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 NPC1 2490/4885SMN1; SMN2 2813/4885RAB9A 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.