SCHEMBL8249057

SCHEMBL8249057

O=C(Cc1csc(NC(=O)OCc2cccnc2)n1)Nc1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.53
HDAC3 O15379 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC4 P56524 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
LMNA P02545 3/20 0.44
ALOX12 P18054 3/20 0.44

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
SCHEMBL8246412 0.90 HDAC3 (0.54) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8245297 0.86 PDE5A (0.54) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8250466 0.85 HTT (0.47) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8249060 0.84 MEN1 (0.49) HDAC4MEN1KMT2AALDH1A1MAPT
SCHEMBL3603106 0.84 ALDH1A1 (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL13316882 0.83 CSNK1D (0.53) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL8248018 0.82 TSHR (0.49) HDAC1HDAC3HDAC2SMN1; SMN2MEN1
SCHEMBL8247956 0.81 HTT (0.46) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL8245740 0.79 HDAC3 (0.49) HDAC1HDAC3HDAC2HDAC4GAA
SCHEMBL8248231 0.78 PDE5A (0.53) HDAC1HDAC3HDAC2HDAC4HDAC7

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 3 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 disclosed
US-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US disclosed
WO-2007017728-A2 NOVEL HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-02-15 WO 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 HDAC1 307/4885HDAC3 255/4885HDAC2 642/4885

“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.