SCHEMBL21484891

SCHEMBL21484891

CC(C)(C)c1csc(NC(=O)CC#N)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HPGD P15428 3/20 0.59
KMT2A Q03164 6/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 4/20 0.57
POLB P06746 3/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 1/20 0.57
ATAD2 Q6PL18 1/20 0.53
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
MAPK1 P28482 2/20 0.52
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
HSD17B10 Q99714 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ALOX15 P16050 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL21484911 0.90 ABL1 (0.50) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77628 0.82 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL8283113 0.81 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL77191 0.81 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77089 0.79 KMT2A (0.67) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL77898 0.78 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL21484647 0.78 ABL1 (0.65) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL20788543 0.78 NPC1 (0.77) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL21484816 0.77 ABL1 (0.55) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA
SCHEMBL10078875 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2HPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2022-01-06 US disclosed
EP-3556755-B1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2021-11-17 EP disclosed
EP-3556755-B1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES UNIV MASARYKOVA (CZ) 2021-11-17 EP disclosed
CN-112313229-A Substituted aminothiazoles as inhibitors of nucleases 马萨里克大学 2021-02-02 CN disclosed
WO-2019201865-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES MASARYKOVA UNIVERZITA (CZ) 2019-10-24 WO disclosed
EP-3556755-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES Masarykova univerzita (CZ) 2019-10-23 EP disclosed
EP-3556755-A1 SUBSTITUTED AMINOTHIAZOLES 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-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885SMN1; SMN2 104/4885HPGD 4259/4885
US-20220002282-A1 SUBSTITUTED AMINOTHIAZOLES AS INHIBITORS OF NUCLEASES RNASEH1, DNASE1, FEN1 ALDH1A1 2267/4885SMN1; SMN2 104/4885HPGD 4259/4885

“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.