SCHEMBL21484645

SCHEMBL21484645

Cc1cccc(-c2csc(NC(=O)CC#N)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.57
MRE11 P49959 2/20 0.56
MAPT P10636 8/20 0.53
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.44
CCR6 P51684 1/20 0.44
MAPK1 P28482 1/20 0.44
SLC12A2 P55011 1/20 0.44
SLC12A5 Q9H2X9 1/20 0.44
ELOVL1 Q9BW60 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL21484634 0.85 MRE11 (0.58) ABL1MRE11MAPTALDH1A1NPC1
SCHEMBL26122412 0.82 MRE11 (0.53) ABL1MRE11MAPTALDH1A1NPC1
SCHEMBL21484682 0.81 ALDH1A1 (0.64) ABL1MAPTALDH1A1NPC1RAB9A
SCHEMBL21484624 0.81 ABL1 (0.57) ABL1MRE11MAPTALDH1A1NPC1
SCHEMBL21484761 0.81 ABL1 (0.57) ABL1MAPTALDH1A1NPC1RAB9A
SCHEMBL21495098 0.80 NPC1 (0.59) ABL1MRE11MAPTALDH1A1NPC1
SCHEMBL8283113 0.80 SMN1; SMN2 (0.57) ABL1MAPTALDH1A1NPC1RAB9A
SCHEMBL21484876 0.80 ABL1 (0.59) ABL1MAPTALDH1A1NPC1RAB9A
SCHEMBL21484709 0.80 ABL1 (0.69) ABL1MRE11MAPTALDH1A1NPC1
SCHEMBL21484713 0.80 ABL1 (0.68) ABL1MAPTALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11453663-B2 Substituted propanamides as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2022-09-27 US disclosed
US-20220073507-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-03-10 US disclosed
CN-112351983-A Substituted propionamides as inhibitors of nucleases 马萨里克大学 2021-02-09 CN disclosed
EP-3556756-B1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2020-10-07 EP disclosed
EP-3556756-B1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2020-10-07 EP disclosed
WO-2019201867-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
WO-2019201867-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
EP-3556756-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES Masarykova univerzita (CZ) 2019-10-23 EP disclosed
EP-3556756-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES Masarykova univerzita (CZ) 2019-10-23 EP 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 (2 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-20220073507-A1 SUBSTITUTED PROPANAMIDES AS INHIBITORS OF NUCLEASES DNASE1, RNASEH1, FEN1 ABL1 4272/4885MRE11 86/4885MAPT 1351/4885
US-11453663-B2 Substituted propanamides as inhibitors of nucleases DNASE1, RNASEH1, FEN1 ABL1 4272/4885MRE11 86/4885MAPT 1351/4885

“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.