SCHEMBL3597252

SCHEMBL3597252

COC[C@@H]1CCCN1C1Cc2cc([NH])ccc2NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.41
CASP7 P55210 4/20 0.41
CASP9 P55211 1/20 0.41
ALOX15 P16050 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 5/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
PARP1 P09874 2/20 0.35
CHEK1 O14757 1/20 0.35
MAP2K1 Q02750 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
CASP1 P29466 2/20 0.34
TSHR P16473 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3599094 0.92 CASP3 (0.39) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL3597258 0.87 CASP3 (0.41) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL3601351 0.86 KMT2A (0.37) ALOX15HSD17B10GAAALDH1A1KDM4E
SCHEMBL3599096 0.81 CASP3 (0.39) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL3589706 0.80 ALDH1A1 (0.40) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL13545285 0.79 HSD17B10 (0.38) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL13545546 0.79 HSD17B10 (0.38) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL3588831 0.79 DRD2 (0.35) CASP3CASP7CASP9ALOX15HSD17B10
SCHEMBL3601732 0.77 ALDH1A1 (0.36) ALOX15HSD17B10GAAALDH1A1KDM4E
SCHEMBL3591371 0.77 DRD2 (0.40) ALOX15HSD17B10GAAALDH1A1KDM4E

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 CASP3 106/4885CASP7 792/4885CASP9 638/4885

“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.