SCHEMBL3352336

SCHEMBL3352336

O=C(NO)c1ccc(C2(c3nc4c(s3)CCCC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.45
HDAC3 O15379 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 7/20 0.45
NPC1 O15118 6/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
GFER P55789 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CLK1 P49759 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
SCHEMBL2700210 0.86 RAB9A (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2698532 0.84 MAPT (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL1919155 0.84 HDAC1 (0.40) HDAC1HDAC3HDAC6
SCHEMBL3354933 0.77 GRAMD1A (0.42) HDAC1HDAC3HDAC6RAB9ASMN1; SMN2
SCHEMBL1920749 0.76 GRAMD1A (0.55) HDAC1HDAC6MAPTKDM4E
SCHEMBL1918853 0.74 HDAC1 (0.34) HDAC1HDAC3HDAC6
SCHEMBL1920137 0.73 NPC1 (0.47) HDAC1HDAC6RAB9ASMN1; SMN2NPC1
SCHEMBL1919491 0.71 ALDH1A1 (0.43) HDAC1HDAC3HDAC6RAB9ASMN1; SMN2
SCHEMBL198276 0.70 MITF (0.37) RAB9ASMN1; SMN2KMT2AGAAMITF
SCHEMBL1919031 0.68 HDAC1 (0.51) HDAC1HDAC6SMN1; SMN2ALDH1A1MAPT

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-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US claimed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US claimed

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-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 HDAC1 1/4885HDAC3 4/4885HDAC6 7/4885

“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.