SCHEMBL3601082

SCHEMBL3601082

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.66
HDAC1 Q13547 2/20 0.66
MAPT P10636 3/20 0.55
POLB P06746 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
HDAC8 Q9BY41 1/20 0.50
PLK1 P53350 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CXCR3 P49682 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
SCHEMBL3612223 0.88 HDAC6 (0.83) HDAC6HDAC1POLBTDP1HDAC8
SCHEMBL3611422 0.86 HDAC6 (0.62) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3608439 0.84 HDAC6 (0.60) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3612530 0.84 HDAC6 (0.62) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3604540 0.83 HDAC6 (0.58) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3603443 0.83 HDAC1 (0.60) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3605153 0.81 ALDH1A1 (0.63) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL4080378 0.81 POLB (0.69) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3613096 0.81 HDAC6 (0.61) HDAC6HDAC1MAPTPOLBTDP1
SCHEMBL3610541 0.80 HDAC1 (0.63) HDAC6HDAC1HDAC8

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 HDAC6 90/4885HDAC1 307/4885MAPT 2986/4885

“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.