SCHEMBL4247288

SCHEMBL4247288

CC(=O)Nc1ccc(Oc2cccc(C(=O)NCCOc3ccc(C(=S)NO)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
P2RX3 P56373 1/20 0.38
NAMPT P43490 1/20 0.38
CNR1 P21554 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL446015 0.92 MAPT (0.46) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4251732 0.87 MAPT (0.41) SMN1; SMN2ALDH1A1MAPTNPC1MAPK1
SCHEMBL4254714 0.84 MAPT (0.45) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4252356 0.81 NPC1 (0.42) SMN1; SMN2ALDH1A1LMNAMAPTHTT
SCHEMBL4251738 0.79 HDAC3 (0.45) SMN1; SMN2LMNAMAPTNPC1KMT2A
SCHEMBL4250397 0.79 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTNPC1USP2
SCHEMBL4247486 0.79 CHRNB2 (0.47) SMN1; SMN2ALDH1A1MAPTNPC1USP2
SCHEMBL4255378 0.79 KMT2A (0.48) SMN1; SMN2MAPTNPC1KMT2AL3MBTL1
SCHEMBL14917829 0.78 HDAC4 (0.52) SMN1; SMN2LMNAHTTNPC1MAPK1
SCHEMBL443881 0.78 NPC1 (0.44) SMN1; SMN2ALDH1A1MAPTNPC1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 SMN1; SMN2 3469/4885ALDH1A1 601/4885LMNA 2081/4885

“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.