SCHEMBL4840957

SCHEMBL4840957

COc1ccc2c(c1)C(=CC(=O)c1ccc(NC(=O)c3ccccc3C)cc1)NC(C)(C)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 3/20 0.48
GAA P10253 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL4840937 1.00 NPC1 (0.51) NPC1RAB9ALMNAGAAHTT
SCHEMBL4835324 0.93 NPC1 (0.42) NPC1RAB9ALMNAGAAHTT
SCHEMBL4835339 0.93 NPC1 (0.42) NPC1RAB9ALMNAGAAHTT
SCHEMBL4843000 0.92 RAB9A (0.44) NPC1RAB9ALMNAGAAHTT
SCHEMBL4842989 0.92 RAB9A (0.44) NPC1RAB9ALMNAGAAHTT
SCHEMBL4835117 0.91 KMT2A (0.46) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL4844021 0.91 GFER (0.41) NPC1RAB9ALMNAGAAHTT
SCHEMBL4843999 0.91 GFER (0.41) NPC1RAB9ALMNAGAAHTT
SCHEMBL4835129 0.91 KMT2A (0.46) NPC1RAB9ALMNAALDH1A1MAPT
SCHEMBL4847174 0.91 MEN1 (0.46) NPC1RAB9ALMNAGAAHTT

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 2220/4885LMNA 3014/4885

“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.