SCHEMBL3609527

SCHEMBL3609527

N#Cc1ccc(NC(=O)Nc2cccc(NC(=O)c3ccc(CN(Cc4cccs4)C(=O)O)cc3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.46
NAMPT P43490 1/20 0.46
NSD2 O96028 1/20 0.46
NSD3 Q9BZ95 1/20 0.46
HPSE Q9Y251 2/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SAE1 Q9UBE0 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
SCHEMBL3609374 0.81 HDAC1 (0.55) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL5592780 0.80 NAMPT (0.52) ROCK2HDAC1MEN1KMT2AMAPT
SCHEMBL3616434 0.77 HDAC6 (0.55) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL3609613 0.77 HDAC6 (0.55) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL3615035 0.76 HDAC1 (0.48) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL3612223 0.73 HDAC6 (0.83) HDAC1HDAC6
SCHEMBL3601082 0.72 HDAC6 (0.66) HDAC1HDAC6MAPTALDH1A1GAA
SCHEMBL3610541 0.70 HDAC1 (0.63) HDAC1HDAC6
SCHEMBL3612530 0.69 HDAC6 (0.62) HDAC1HDAC6MEN1KMT2AMAPT
SCHEMBL3611422 0.69 HDAC6 (0.62) HDAC1HDAC6KMT2AMAPTALDH1A1

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 ROCK2 2792/4885HDAC1 307/4885HDAC6 90/4885

“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.