SCHEMBL4835750

SCHEMBL4835750

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)CCc3ccccc3)c1)NC(C)(C)C2

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
SENP1 Q9P0U3 1/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 3/20 0.44
PARP1 P09874 2/20 0.42
HSD17B1 P14061 1/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 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
SCHEMBL4835761 1.00 RAB9A (0.53) RAB9AALDH1A1HPGDSENP1MAPT
SCHEMBL4846566 0.92 RAB9A (0.48) RAB9AALDH1A1HPGDSENP1MAPT
SCHEMBL4839756 0.92 USP2 (0.52) RAB9AALDH1A1MAPTUSP2NPC1
SCHEMBL4839782 0.92 USP2 (0.52) RAB9AALDH1A1MAPTUSP2NPC1
SCHEMBL4846573 0.92 RAB9A (0.48) RAB9AALDH1A1HPGDSENP1MAPT
SCHEMBL4838804 0.90 MTNR1B (0.47) RAB9AALDH1A1HPGDNPC1MEN1
SCHEMBL4838794 0.90 MTNR1B (0.47) RAB9AALDH1A1HPGDNPC1MEN1
SCHEMBL4834795 0.89 TP53 (0.42) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL4834808 0.89 TP53 (0.42) RAB9AALDH1A1HPGDMAPTNPC1
SCHEMBL4839227 0.89 ALDH1A1 (0.40) RAB9AALDH1A1HPGDMAPTGAA

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 2220/4885ALDH1A1 2636/4885HPGD 1185/4885

“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.