SCHEMBL1638858

SCHEMBL1638858

COc1ccc(C(Nc2ccsc2C(C)=O)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
MAPK10 P53779 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ATM Q13315 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK8 P45983 2/20 0.41
HTT P42858 1/20 0.41
MAPK9 P45984 1/20 0.41
PRNP P04156 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL1696067 0.86 MAPK8 (0.51) HPGDMAPK10ALDH1A1LMNANPSR1
SCHEMBL13657149 0.82 LMNA (0.40) HPGDMAPK10ALDH1A1MAPTLMNA
SCHEMBL1696336 0.78 L3MBTL1 (0.58) HPGDMAPK10ALDH1A1MAPTLMNA
SCHEMBL1637543 0.77 ATM (0.47) ALDH1A1MAPTNPSR1KDM4EATM
SCHEMBL1696327 0.73 MAPK8 (0.52) MAPK10ALDH1A1NPSR1MAPK8PRNP
SCHEMBL1696056 0.73 L3MBTL1 (0.45) HPGDMAPK10ALDH1A1MAPTLMNA
SCHEMBL12073631 0.73 L3MBTL1 (0.45) HPGDMAPK10ALDH1A1MAPTLMNA
SCHEMBL9298424 0.73 ALDH1A1 (0.57) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL2485730 0.73 ALDH1A1 (0.57) ALDH1A1MAPTLMNANPSR1KDM4E
SCHEMBL11697241 0.72 ATM (0.56) ALDH1A1NPSR1ATMTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
US-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-28 US disclosed
WO-2009121033-A2 SUBSTITUTED NITROGEN HETEROCYCLES AND SYNTHESIS AND USES THEREOF UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 WO disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 US disclosed
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-10-01 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-20110098483-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT HPGD 42/4885MAPK10 1726/4885ALDH1A1 677/4885
US-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT HPGD 42/4885MAPK10 1726/4885ALDH1A1 677/4885

“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.