SCHEMBL4845735

SCHEMBL4845735

COc1ccc2c(c1)C(=CC(=O)c1ccc(C(=O)Nc3cccc(O)c3)cc1)NC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 7/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
TP53 P04637 3/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 4/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KCNK9 Q9NPC2 2/20 0.43
NLRP3 Q96P20 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PSD A5PKW4 1/20 0.41
KCNK3 O14649 2/20 0.41

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
SCHEMBL4845705 1.00 RAB9A (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4842520 0.94 RXFP1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4842509 0.94 RXFP1 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4846320 0.94 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4846309 0.94 NPC1 (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4835360 0.91 KCNK9 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4835346 0.91 KCNK9 (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4837842 0.90 AR (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4837859 0.90 AR (0.44) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4839736 0.89 RAB9A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A

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 2220/4885NPC1 985/4885ALDH1A1 2636/4885

“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.