SCHEMBL3601362

SCHEMBL3601362

Nc1ccc2c(c1)NC(=O)C(N1CCSC1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 1/20 0.40
DRD2 P14416 2/20 0.37
DRD4 P21917 1/20 0.37
CRBN Q96SW2 5/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
DDB1 Q16531 3/20 0.33
TRPV1 Q8NER1 3/20 0.33
IKZF3 Q9UKT9 2/20 0.32
ALDH1A1 P00352 5/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
SMN1; SMN2 Q16637 2/20 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
SCHEMBL3588009 0.92 CA9 (0.42) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3595252 0.90 DRD2 (0.39) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3601359 0.85 DRD2 (0.37) DRD2DRD4KDM4EMAPTGAA
SCHEMBL3597005 0.83 CA9 (0.45) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3606191 0.82 DRD2 (0.43) CA9DRD2DRD4CRBNKDM4E
SCHEMBL13545287 0.82 TRPV1 (0.39) DRD2DRD4KDM4EMAPTTRPV1
SCHEMBL3600796 0.82 TSHR (0.46) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3602310 0.81 CA9 (0.47) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3602346 0.81 CA9 (0.43) CA9DRD2DRD4CRBNKDM4E
SCHEMBL3588944 0.81 DRD2 (0.44) CA9DRD2DRD4CRBNKDM4E

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 CA9 1531/4885DRD2 530/4885DRD4 795/4885

“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.