SCHEMBL3594549

SCHEMBL3594549

[NH]c1cccc2c1CC(N1CCS(=O)(=O)CC1)C(=O)N2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DRD3 P35462 1/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
APEX1 P27695 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL3594551 0.86 ALDH1A1 (0.37) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3587495 0.85 DRD2 (0.44) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3605687 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3589418 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3596738 0.84 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3587349 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3590900 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3592823 0.82 ALDH1A1 (0.41) ALDH1A1KDM4EGAAMAPTDRD2
SCHEMBL3595927 0.81 DRD2 (0.37) ALDH1A1DRD2DRD4RAB9ALMNA
SCHEMBL3593130 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTDRD2

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 ALDH1A1 1904/4885KDM4E 2284/4885GAA 4641/4885

“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.