SCHEMBL3609613

SCHEMBL3609613

O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(CN(Cc2cccs2)C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.55
HDAC1 Q13547 1/20 0.55
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
HIF1A Q16665 2/20 0.43
EPAS1 Q99814 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL3616434 0.83 HDAC6 (0.55) HDAC6HDAC1LMNAMAPTHTT
SCHEMBL3612223 0.79 HDAC6 (0.83) HDAC6HDAC1POLBTDP1HDAC8
SCHEMBL3609374 0.79 HDAC1 (0.55) HDAC6HDAC1LMNAMAPTHTT
SCHEMBL3601082 0.78 HDAC6 (0.66) HDAC6HDAC1MAPTHTTTSHR
SCHEMBL3607692 0.78 HDAC1 (0.52) HDAC6HDAC1LMNAMAPTHTT
SCHEMBL3609527 0.77 ROCK2 (0.49) HDAC6HDAC1LMNAMAPTRAB9A
SCHEMBL3610541 0.76 HDAC1 (0.63) HDAC6HDAC1HDAC8
SCHEMBL3612530 0.75 HDAC6 (0.62) HDAC6HDAC1LMNAMAPTHTT
SCHEMBL3611422 0.75 HDAC6 (0.62) HDAC6HDAC1MAPTHTTTSHR
SCHEMBL3615035 0.75 HDAC1 (0.48) HDAC6HDAC1MAPTHTTNPSR1

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 307/4885LMNA 3772/4885

“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.