SCHEMBL1929562

SCHEMBL1929562

C#Cc1ccccc1C(=O)NC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
PPIA P62937 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 3/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 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
SCHEMBL29732828 0.81 CTSD (0.49) KDM4ENPC1GAAPOLBALDH1A1
SCHEMBL3468799 0.79 NPC1 (0.58) KDM4ENPC1RAB9AGAAPOLB
SCHEMBL29629450 0.79 NPC1 (0.58) KDM4ENPC1RAB9AGAAPOLB
SCHEMBL31581107 0.79 ALDH1A1 (0.59) KDM4ENPC1RAB9AGAAPOLB
SCHEMBL4043786 0.78 GAA (0.53) GAAPOLBALDH1A1
SCHEMBL9118696 0.76 POLB (0.64) KDM4ENPC1RAB9APPIAGAA
SCHEMBL11812944 0.75 FFAR1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2POLB
SCHEMBL7160814 0.75 CYP3A4 (0.53) KDM4ENPC1GAAALDH1A1MAPT
SCHEMBL7557424 0.74 NPC1 (0.41) KDM4ENPC1RAB9AGAASMN1; SMN2
SCHEMBL15611235 0.74 NPC1 (0.53) KDM4ENPC1RAB9AGAAALDH1A1

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 KDM4E 3056/4885NPC1 3792/4885RAB9A 2719/4885

“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.