SCHEMBL10156536

SCHEMBL10156536

COc1cc(Nc2nc(SC)[nH]c(=O)c2C(N)=O)ccc1S(=O)(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.44
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
SYK P43405 1/20 0.41
GAA P10253 3/20 0.40
TSHR P16473 2/20 0.40
NPBWR1 P48145 1/20 0.40
LMNA P02545 5/20 0.40
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
RAC1 P63000 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10126522 0.89 MAPT (0.42) MAPTSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL16305325 0.85 SYK (0.38) MAPTSYKGAATSHRKDM4E
SCHEMBL16305320 0.84 HPGD (0.49) MAPTSMN1; SMN2ALDH1A1SYKTSHR
SCHEMBL10157042 0.83 MCOLN3 (0.44) MCOLN3MAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL10156251 0.82 SYK (0.65) SYK
SCHEMBL10157034 0.82 SMN1; SMN2 (0.42) MAPTSMN1; SMN2ALDH1A1SYKTSHR
SCHEMBL10157291 0.82 SYK (0.41) MCOLN3MAPTSMN1; SMN2ALDH1A1NPY1R
SCHEMBL10156543 0.78 SYK (0.40) MAPTSMN1; SMN2SYKGAAPOLB
SCHEMBL10126469 0.78 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL10127164 0.77 GRM4 (0.43) MAPTSMN1; SMN2ALDH1A1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 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 (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-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MCOLN3 2528/4885MAPT 3116/4885SMN1; SMN2 4467/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 MCOLN3 2528/4885MAPT 3116/4885SMN1; SMN2 4467/4885

“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.