SCHEMBL4844957

SCHEMBL4844957

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(NC(=O)c3cccc(F)c3F)cc1)NC(C)(C)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDR P35968 1/20 0.38
THRB P10828 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL4844965 1.00 NPC1 (0.41) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4842859 0.93 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4842846 0.93 NPC1 (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4846742 0.93 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4846735 0.93 NPC1 (0.45) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL4842095 0.93 STIM1 (0.37) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4842104 0.93 STIM1 (0.37) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4844423 0.91 RAB9A (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4844433 0.91 RAB9A (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL4844476 0.90 MAPK14 (0.39) NPC1RAB9AMAPTALDH1A1LMNA

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 2220/4885MAPT 646/4885

“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.