SCHEMBL4844545

SCHEMBL4844545

COc1ccc2c(c1)C(=CC(=O)c1cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c1)NC(C)(C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
RXFP1 Q9HBX9 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
NR1H4 Q96RI1 2/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 2/20 0.43
THRB P10828 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL4844535 1.00 NPC1 (0.48) NPC1RAB9ARXFP1ABCG2SMN1; SMN2
SCHEMBL4842235 0.94 RXFP1 (0.49) NPC1RAB9ARXFP1KMT2AMAPT
SCHEMBL4843071 0.94 RXFP1 (0.43) NPC1RAB9ARXFP1KMT2AALDH1A1
SCHEMBL4842225 0.94 RXFP1 (0.49) NPC1RAB9ARXFP1KMT2AMAPT
SCHEMBL4839923 0.93 NPC1 (0.57) NPC1RAB9ARXFP1SMN1; SMN2KMT2A
SCHEMBL4839934 0.93 NPC1 (0.57) NPC1RAB9ARXFP1SMN1; SMN2KMT2A
SCHEMBL4834853 0.92 NPC1 (0.47) NPC1RAB9ARXFP1SMN1; SMN2KMT2A
SCHEMBL4834863 0.92 NPC1 (0.47) NPC1RAB9ARXFP1SMN1; SMN2KMT2A
SCHEMBL4846819 0.92 TRPV1 (0.46) NPC1RAB9ARXFP1ABCG2SMN1; SMN2
SCHEMBL4846828 0.92 TRPV1 (0.46) NPC1RAB9ARXFP1ABCG2SMN1; SMN2

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 2220/4885RXFP1 645/4885

“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.