SCHEMBL4846252

SCHEMBL4846252

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3c(F)cccc3Cl)cc1)NC(C)(C)C2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TLR8 Q9NR97 7/20 0.43
TLR7 Q9NYK1 2/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAOB P27338 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38

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
SCHEMBL4846242 1.00 RAB9A (0.44) RAB9ASMN1; SMN2NPC1TLR8TLR7
SCHEMBL4844433 0.94 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4843421 0.94 ITGB1 (0.41) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4844423 0.94 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4843413 0.94 ITGB1 (0.41) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL4842385 0.93 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TLR8TLR7
SCHEMBL4842376 0.93 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TLR8TLR7
SCHEMBL4844346 0.89 RAB9A (0.37) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL4844336 0.89 RAB9A (0.37) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL4835153 0.88 TP53 (0.52) MAPTNPSR1CYP3A4CYP2C9CYP2C19

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 RAB9A 2220/4885SMN1; SMN2 144/4885NPC1 985/4885

“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.