SCHEMBL3597119

SCHEMBL3597119

[NH]c1cccc2c1NC(=O)C(N1CCSCC1)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
RAB9A P51151 1/20 0.36
CRBN Q96SW2 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.31
OPRM1 P35372 3/20 0.31
OPRK1 P41145 3/20 0.31
OPRL1 P41146 3/20 0.31
OPRD1 P41143 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MEN1 O00255 1/20 0.30
APEX1 P27695 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
SCHEMBL3603376 0.92 DRD2 (0.34) ALDH1A1SMN1; SMN2DRD2DRD4RAB9A
SCHEMBL3595636 0.86 TSHR (0.46) ALDH1A1DRD2DRD4RAB9ACRBN
SCHEMBL3604098 0.85 DRD2 (0.39) ALDH1A1DRD2DRD4RAB9ACRBN
SCHEMBL3593849 0.85 DRD2 (0.41) ALDH1A1SMN1; SMN2DRD2DRD4RAB9A
SCHEMBL3599720 0.85 DRD2 (0.39) ALDH1A1SMN1; SMN2DRD2DRD4RAB9A
SCHEMBL3594128 0.84 POLB (0.39) ALDH1A1DRD2DRD4RAB9ACRBN
SCHEMBL3597120 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2DRD2DRD4RAB9A
SCHEMBL3595927 0.83 DRD2 (0.37) ALDH1A1DRD2DRD4RAB9ACRBN
SCHEMBL3607360 0.83 KMT2A (0.37) ALDH1A1DRD2DRD4RAB9ACRBN
SCHEMBL3599654 0.80 DRD2 (0.35) ALDH1A1DRD2DRD4RAB9ACRBN

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 1904/4885SMN1; SMN2 1047/4885DRD2 530/4885

“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.