SCHEMBL3596725

SCHEMBL3596725

CC1(C)Oc2cccc([NH])c2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 9/20 0.35
PDK2 Q15119 3/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
PDK4 Q16654 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL22766689 0.79 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2BRD4PDK2
SCHEMBL17027260 0.79 KDM4E (0.35) KDM4EALDH1A1SMN1; SMN2BRD4PDK2
SCHEMBL3601425 0.72 PDK2 (0.38) KDM4EALDH1A1SMN1; SMN2BRD4PDK2
SCHEMBL1450379 0.71 BRD4 (0.51) KDM4EALDH1A1SMN1; SMN2BRD4PDK2
SCHEMBL3595402 0.68 BRD4 (0.37) KDM4EALDH1A1SMN1; SMN2BRD4PDK2
SCHEMBL3642063 0.68 PARP1 (0.56) SMN1; SMN2BRD4PDE3BPDE3A
SCHEMBL3589207 0.68 PARP1 (0.56) SMN1; SMN2BRD4PDE3BPDE3A
SCHEMBL3637630 0.68 PARP1 (0.56) SMN1; SMN2BRD4PDE3BPDE3A
SCHEMBL3599771 0.67 NR3C2 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL3593391 0.66 RXFP1 (0.36) KDM4EALDH1A1BRD4PDK2PDK4

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 KDM4E 2284/4885ALDH1A1 1904/4885SMN1; SMN2 1047/4885

“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.