SCHEMBL4841019

SCHEMBL4841019

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3cc(F)c(F)c(F)c3)cc1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
NFE2L2 Q16236 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PLAU P00749 1/20 0.38
LMNA P02545 2/20 0.38
BACE1 P56817 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPK14 Q16539 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4841008 1.00 NPC1 (0.39) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4835328 0.91 KMT2A (0.44) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4835312 0.91 KMT2A (0.44) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4834867 0.91 KMT2A (0.43) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4834858 0.91 KMT2A (0.43) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4839102 0.91 RAB9A (0.49) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4839109 0.91 RAB9A (0.49) NPC1RAB9ATP53SMN1; SMN2ALOX15
SCHEMBL4835392 0.91 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4835380 0.91 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL4844462 0.90 MAPK14 (0.39) NPC1RAB9ATP53SMN1; SMN2ALOX15

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-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 NPC1 985/4885RAB9A 2220/4885TP53 2237/4885

“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.