SCHEMBL20110221

SCHEMBL20110221

Cc1ccccc1C(=O)Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
LMNA P02545 3/20 0.66
RAB9A P51151 3/20 0.66
NPC1 O15118 2/20 0.66
MAPT P10636 3/20 0.58
THRB P10828 1/20 0.58
MAPK1 P28482 2/20 0.56
CDKN1A P38936 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
KDM4E B2RXH2 3/20 0.49
POLB P06746 2/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GRM5 P41594 1/20 0.48
ALDH1A1 P00352 4/20 0.48
TTK P33981 1/20 0.48
KMT2A Q03164 2/20 0.47

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
SCHEMBL19668480 0.89 MAPK1 (0.69) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL20110238 0.86 MAPK1 (0.77) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL20110191 0.85 MAPK1 (0.79) SMN1; SMN2LMNAMAPTMAPK1CDKN1A
SCHEMBL20110192 0.85 MAPK1 (0.79) SMN1; SMN2LMNAMAPTMAPK1CDKN1A
SCHEMBL20110229 0.83 MAPK1 (0.57) SMN1; SMN2LMNAMAPTMAPK1CDKN1A
SCHEMBL22060395 0.83 MAPK1 (0.68) SMN1; SMN2LMNAMAPTMAPK1CDKN1A
SCHEMBL20110239 0.83 MAPK1 (0.68) SMN1; SMN2LMNAMAPTMAPK1CDKN1A
SCHEMBL20110231 0.83 MAPK1 (0.60) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL22060130 0.82 MAPK1 (0.59) SMN1; SMN2LMNARAB9ANPC1MAPT
SCHEMBL22060136 0.82 MAPK1 (0.59) SMN1; SMN2LMNARAB9ANPC1MAPT

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 7 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-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2021-07-29 US disclosed
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same NYSNOBIO IRELAND DAC (IE) 2021-01-12 US disclosed
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME NYSNOBIO IRELAND DAC (IE) 2020-06-04 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
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 (6 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 SMN1; SMN2 1999/4885LMNA 1537/4885RAB9A 1985/4885
US-20210244712-A1 METHODS FOR TREATING PATIENTS WITH CANCER HAVING DEFECTS IN CYCLIN D REGULATION TP53, RB1, CDK1 SMN1; SMN2 2456/4885LMNA 1905/4885RAB9A 2007/4885
US-20200172497-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 SMN1; SMN2 2359/4885LMNA 1956/4885RAB9A 1771/4885
US-20210230126-A1 ASYMMETRIC TRIAZOLE BENZAMIDE DERIVATIVES AND THE COMPOSITIONS AND METHODS OF TREATMENT REGARDING THE SAME ATG7, PINK1, ADRM1 SMN1; SMN2 2359/4885LMNA 1956/4885RAB9A 1771/4885
US-10308617-B2 Triazole benzamide derivatives and the compositions and methods of treatment regarding the same PINK1, ATG7, ADRM1 SMN1; SMN2 1999/4885LMNA 1537/4885RAB9A 1985/4885
US-10889553-B2 Asymmetric triazole benzamide derivatives and the compositions and methods of treatment regarding the same ATG7, PINK1, ADRM1 SMN1; SMN2 2359/4885LMNA 1956/4885RAB9A 1771/4885

“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.