SCHEMBL1925991

SCHEMBL1925991

CCCNC(=O)c1cc(C(=O)C=[N+]=[N-])cc(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
ERN1 O75460 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NAAA Q02083 1/20 0.41
POLB P06746 1/20 0.40
AKR1C4 P17516 2/20 0.39
AKR1C3 P42330 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL1925859 0.82 DRD2 (0.56) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1927933 0.78 DRD2 (0.52) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1927120 0.76 L3MBTL1 (0.67) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1929568 0.74 DRD2 (0.51) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1927649 0.74 DRD2 (0.77) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL1927123 0.72 KMO (0.55) ALDH1A1NAAAMAPT
SCHEMBL1928128 0.72 DRD2 (0.48) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL6437787 0.72 L3MBTL1 (0.61) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
Dimethylamine SCHEMBL15710136 0.70 NAAA (0.69) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL5585739 0.70 ALDH1A1 (0.58) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO 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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD DRD2 4603/4885DRD4 4591/4885DRD3 4475/4885

“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.