SCHEMBL3595248

SCHEMBL3595248

[NH]c1ccc2c(c1)CC(N1CCSC1)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HTR2C P28335 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
SCHEMBL3606189 0.92 DRD2 (0.43) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3601359 0.90 DRD2 (0.37) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3595252 0.85 DRD2 (0.39) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3588007 0.82 DRD2 (0.40) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3580789 0.82 TSHR (0.46) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL4457511 0.81 DRD2 (0.44) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3596527 0.81 DRD2 (0.46) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3602293 0.81 DRD2 (0.44) DRD2DRD4KMT2AALDH1A1KDM4E
SCHEMBL3601998 0.80 DRD2 (0.43) DRD2DRD4KMT2AALDH1A1GAA
SCHEMBL3604332 0.79 DRD2 (0.42) DRD2DRD4KMT2AALDH1A1KDM4E

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 DRD2 530/4885DRD4 795/4885KMT2A 906/4885

“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.