SCHEMBL3603443

SCHEMBL3603443

CN(O)C(=O)c1ccc(CN(Cc2cccs2)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 3/20 0.47
TRPM8 Q7Z2W7 3/20 0.47
PDK1 Q15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 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
SCHEMBL3596570 0.86 HDAC1 (0.57) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3601082 0.83 HDAC6 (0.66) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL4080378 0.82 POLB (0.69) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3598797 0.82 HDAC1 (0.56) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3612223 0.81 HDAC6 (0.83) HDAC1HDAC6POLBTDP1
SCHEMBL6121071 0.80 HDAC1 (0.59) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3611422 0.80 HDAC6 (0.62) HDAC1HDAC6POLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL6123175 0.79 HDAC1 (0.57) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3608439 0.78 HDAC6 (0.60) HDAC1HDAC6POLBTDP1ALDH1A1
SCHEMBL3612530 0.77 HDAC6 (0.62) HDAC1HDAC6POLBTDP1ALDH1A1

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 90/4885POLB 3674/4885

“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.