SCHEMBL3606555

SCHEMBL3606555

COC(=O)N(OCc1ccccc1)C(=O)c1ccc(CN(Cc2cccs2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
TSHR P16473 3/20 0.52
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TRPM8 Q7Z2W7 2/20 0.45
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
GAA P10253 1/20 0.43
PDK1 Q15118 1/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13316907 0.83 HDAC1 (0.45) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3613096 0.78 HDAC6 (0.61) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3596570 0.78 HDAC1 (0.57) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3601082 0.77 HDAC6 (0.66) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3611422 0.77 HDAC6 (0.62) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3598797 0.76 HDAC1 (0.56) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3603443 0.76 HDAC1 (0.60) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3604540 0.74 HDAC6 (0.58) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2
SCHEMBL3612223 0.74 HDAC6 (0.83) HDAC1HDAC6POLBTDP1
SCHEMBL3608439 0.73 HDAC6 (0.60) HDAC1HDAC6TSHRALDH1A1SMN1; SMN2

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 HDAC1 307/4885HDAC6 90/4885TSHR 3247/4885

“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.