SCHEMBL13657149

SCHEMBL13657149

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
MAPK10 P53779 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.39
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR3C1 P04150 1/20 0.37
LDHA P00338 1/20 0.35
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL1638858 0.82 HPGD (0.44) LMNAHPGDMAPK10NPSR1KDM4E
SCHEMBL1638718 0.74 MAPT (0.43) LMNAHPGDNPSR1KDM4EALDH1A1
SCHEMBL1696336 0.71 L3MBTL1 (0.58) LMNAHPGDMAPK10NPSR1KDM4E
SCHEMBL2485730 0.71 ALDH1A1 (0.57) LMNANPSR1KDM4EALDH1A1MAPT
SCHEMBL9298424 0.71 ALDH1A1 (0.57) LMNANPSR1KDM4EALDH1A1MAPT
SCHEMBL1637543 0.70 ATM (0.47) NPSR1KDM4EALDH1A1MAPTATM
SCHEMBL14019011 0.70 ATM (0.51) NPSR1ALDH1A1ATMTSHRSMN1; SMN2
SCHEMBL30336247 0.70 ATM (0.51) NPSR1ALDH1A1ATMTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2483358 0.70 ALDH1A1 (0.57) NPSR1KDM4EALDH1A1MAPTATM
SCHEMBL1638779 0.69 MEN1 (0.55) MAPK10NPSR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20090247766-A1 Substituted Nitrogen Heterocycles and Synthesis and Uses Thereof PAH, NAT1, NNT LMNA 1981/4885HPGD 42/4885MAPK10 1726/4885

“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.