SCHEMBL3609508

SCHEMBL3609508

Nc1ccccc1NC(=O)Cc1csc(N(Cc2cccnc2)C(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.47
HDAC1 Q13547 8/20 0.43
HDAC3 O15379 6/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 3/20 0.43
HDAC7 Q8WUI4 3/20 0.43
HDAC10 Q969S8 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC9 Q9UKV0 3/20 0.43
HDAC5 Q9UQL6 3/20 0.43
NCOR2 Q9Y618 2/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
NAMPT P43490 2/20 0.41
TP53 P04637 3/20 0.41
KDM6B O15054 1/20 0.40
KDM4D Q6B0I6 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL3607234 0.90 HDAC3 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3601049 0.90 GSTO1 (0.48) GSTO1HDAC3MAPTGAATP53
SCHEMBL3600139 0.85 GSTO1 (0.52) GSTO1HDAC1HDAC6MAPTGAA
SCHEMBL3614294 0.83 GSTO1 (0.50) GSTO1MAPTGAATP53LMNA
SCHEMBL3604443 0.83 MEN1 (0.41) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3608603 0.82 HDAC3 (0.42) HDAC1HDAC3HDAC2HDAC8HDAC4
SCHEMBL3613574 0.81 CSNK1D (0.55) GSTO1MAPTTP53LMNACYP3A4
SCHEMBL3599789 0.80 MAPT (0.46) GSTO1MAPTGAALMNAALDH1A1
SCHEMBL3607165 0.80 PKM (0.42) HDAC1HDAC3MAPTGAALMNA
SCHEMBL3610003 0.78 GSTO1 (0.53) GSTO1MAPTTP53LMNAPOLB

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 2 patents. 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 claimed
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 3849/4885HDAC1 307/4885HDAC3 255/4885

“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.