SCHEMBL3596598

SCHEMBL3596598

CC1(C)Oc2ccc([NH])cc2NC1=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PDE3B Q13370 2/20 0.50
PDE3A Q14432 2/20 0.50
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.44
BRD4 O60885 9/20 0.41
CYP19A1 P11511 1/20 0.39
SYK P43405 3/20 0.37
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL3588753 0.86 BRD4 (0.50) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL89103 0.81 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL445148 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL295046 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL29622749 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL8256073 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL1634782 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL30024800 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL30343148 0.79 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A
SCHEMBL13545259 0.77 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2PDE3BPDE3A

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.