SCHEMBL20115768

SCHEMBL20115768

O=C(Nc1nc(NC(=O)c2ccccc2C(=O)O)n(-c2ccccc2)n1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.82
CDKN1A P38936 1/20 0.67
LMNA P02545 7/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
TDP1 Q9NUW8 6/20 0.66
ALDH1A1 P00352 3/20 0.66
KDM4E B2RXH2 2/20 0.66
HTT P42858 2/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HIF1A Q16665 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL17799237 0.91 MAPK1 (1.00) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL21990726 0.88 MAPK1 (0.89) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110192 0.88 MAPK1 (0.79) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110191 0.88 MAPK1 (0.79) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110178 0.84 MAPK1 (0.85) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110265 0.84 MAPK1 (0.85) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110248 0.83 MAPK1 (0.84) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL22060371 0.83 MAPK1 (0.84) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL20110209 0.83 MAPK1 (0.84) MAPK1CDKN1ALMNASMN1; SMN2TDP1
SCHEMBL19668480 0.82 MAPK1 (0.69) MAPK1CDKN1ALMNASMN1; SMN2TDP1

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-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION NYSNOBIO IRELAND DAC (IE) 2021-08-12 US disclosed
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same An2H Discovery Limited (IE) 2019-06-04 US disclosed
US-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2018-05-03 US 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 (3 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-20180118697-A1 TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME PINK1, ATG7, ADRM1 MAPK1 2124/4885CDKN1A 356/4885LMNA 1537/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 MAPK1 723/4885CDKN1A 7/4885LMNA 1905/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 MAPK1 2124/4885CDKN1A 356/4885LMNA 1537/4885

“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.