SCHEMBL3601425

SCHEMBL3601425

CC1(C)Oc2c([NH])cccc2NC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 9/20 0.35
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
NTRK1 P04629 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 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
SCHEMBL16792465 0.79 PDK2 (0.38) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL4483899 0.79 PDK2 (0.38) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL30659408 0.79 PDK2 (0.38) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL13672076 0.79 KDM4E (0.38) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL14444683 0.79 BRD4 (0.38) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL4968292 0.77 DRD2 (0.36) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL7967862 0.76 ALOX5 (0.41) PDK2PDK4DRD2ALDH1A1KDM4E
SCHEMBL3596725 0.72 KDM4E (0.35) PDK2PDK4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1450379 0.71 BRD4 (0.51) PDK2PDK4ALDH1A1KDM4ESMN1; SMN2
SCHEMBL13672075 0.70 DRD2 (0.53) DRD2

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 PDK2 3637/4885PDK4 3828/4885DRD2 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.