SCHEMBL4575100

SCHEMBL4575100

NC(=O)[CH]Cc1ccc2ccccc2c1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MTNR1A P48039 1/20 0.38
WDR5 P61964 1/20 0.38
PARP10 Q53GL7 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 3/20 0.36
HTT P42858 1/20 0.36
MAPK8 P45983 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 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
SCHEMBL3936169 0.83 MEN1 (0.40) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL366864 0.83 MTNR1A (0.37) MEN1KMT2AMTNR1AWDR5PARP10
SCHEMBL28000844 0.82 MTNR1A (0.42) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL4666055 0.81 MEN1 (0.38) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL6806709 0.81 MTNR1A (0.35) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL15345389 0.80 KDM4E (0.44) MEN1KMT2AMTNR1AWDR5PARP10
SCHEMBL28189392 0.80 MAPK8 (0.42) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL19325982 0.78 PARP10 (0.46) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL31613079 0.78 MTNR1A (0.43) MEN1KMT2AMTNR1APARP10KDM4E
SCHEMBL876123 0.77 ALDH1A1 (0.40) MEN1KMT2AMTNR1APARP10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof JERINI AG (DE) 2008-08-14 US disclosed
EP-1703912-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF Jerini AG (DE) 2006-09-27 EP disclosed
WO-2005063259-A1 COMPOUNDS FOR THE INHIBITION OF UNDESIRED CELL PROLIFERATION AND USE THEREOF JERINI AG (DE) 2005-07-14 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-20080194524-A1 Compounds For the Inhibition of Undesired Cell Proliferation and Use Thereof CCNB1, CCNB2, CCNA1 MEN1 135/4885KMT2A 930/4885MTNR1A 586/4885

“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.