SCHEMBL4845751

SCHEMBL4845751

COc1ccc2c(c1)C(=CC(=O)c1ccc(NS(=O)(=O)c3ccco3)cc1)NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
LMNA P02545 5/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
BCL2 P10415 1/20 0.36
BECN1 Q14457 1/20 0.36
KMT2A Q03164 3/20 0.35

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
SCHEMBL4845734 1.00 ALDH1A1 (0.40) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4835048 0.92 KMT2A (0.40) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4835030 0.92 KMT2A (0.40) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4835762 0.87 LMNA (0.41) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4835755 0.87 LMNA (0.41) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4844339 0.85 LMNA (0.44) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4844353 0.85 LMNA (0.44) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4839002 0.85 RAB9A (0.49) ALDH1A1LMNASMN1; SMN2HPGDRAB9A
SCHEMBL4841681 0.85 LMNA (0.39) ALDH1A1LMNAPKMSMN1; SMN2GAA
SCHEMBL4838996 0.85 RAB9A (0.49) ALDH1A1LMNASMN1; SMN2HPGDRAB9A

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 ALDH1A1 2636/4885LMNA 3014/4885PKM 3544/4885

“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.