SCHEMBL4837859

SCHEMBL4837859

COc1ccc2c(c1)C(=CC(=O)c1ccc(C(=O)Nc3ccc(O)cc3)cc1)NC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.44
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HTT P42858 1/20 0.41
MPO P05164 1/20 0.41
CYP2C9 P11712 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHEK1 O14757 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL4837842 1.00 AR (0.44) ARRAB9ANPC1TP53SMN1; SMN2
SCHEMBL4839102 0.95 RAB9A (0.49) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4839109 0.95 RAB9A (0.49) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4844437 0.93 KMT2A (0.47) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4835233 0.93 NPC1 (0.51) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4835216 0.93 NPC1 (0.51) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4844449 0.93 KMT2A (0.47) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4840822 0.93 NPC1 (0.49) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4840832 0.93 NPC1 (0.49) RAB9ANPC1TP53SMN1; SMN2ALOX15
SCHEMBL4843715 0.92 AR (0.52) ARRAB9ANPC1TP53SMN1; 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 AR 858/4885RAB9A 2220/4885NPC1 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.