SCHEMBL3601049

SCHEMBL3601049

O=C(Cc1csc(N(Cc2cccnc2)C(=O)O)n1)Nc1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.48
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HDAC3 O15379 1/20 0.41
KDM6B O15054 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 6/20 0.40
TP53 P04637 6/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
PARP14 Q460N5 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
SCHEMBL3609508 0.90 GSTO1 (0.47) GSTO1MAPTGAAHDAC3KDM6B
SCHEMBL3600139 0.86 GSTO1 (0.52) GSTO1MAPTGAALMNATP53
SCHEMBL3614294 0.84 GSTO1 (0.50) GSTO1MAPTGAALMNATP53
SCHEMBL3599789 0.83 MAPT (0.46) GSTO1MAPTGAALMNAALDH1A1
SCHEMBL3613574 0.81 CSNK1D (0.55) GSTO1MAPTLMNATP53POLB
SCHEMBL3607234 0.79 HDAC3 (0.45) MAPTGAAHDAC3LMNAALDH1A1
SCHEMBL3610003 0.79 GSTO1 (0.53) GSTO1MAPTLMNATP53POLB
SCHEMBL3607930 0.77 GSTO1 (0.44) GSTO1MAPTHDAC3
SCHEMBL3607138 0.77 SIGMAR1 (0.65)
SCHEMBL8249057 0.76 HDAC1 (0.53) MAPTGAAHDAC3LMNAALDH1A1

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 GSTO1 3849/4885MAPT 2986/4885GAA 325/4885

“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.