SCHEMBL17798951

SCHEMBL17798951

CC=C(C)COc1cc(NC(=S)c2ccoc2C)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 7/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
MAPT P10636 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 3/20 0.36
PKM P14618 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL17798950 1.00 LMNA (0.42) LMNAALDH1A1SMN1; SMN2GAARAB9A
Uc 781 SCHEMBL2670342 0.87 LMNA (0.42) LMNAALDH1A1SMN1; SMN2GAARAB9A
Uc 781 SCHEMBL29838161 0.87 LMNA (0.42) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL19899269 0.82 LMNA (0.41) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL17798945 0.81 NPC1 (0.35) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL17798946 0.81 NPC1 (0.35) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL2670344 0.81 ALDH1A1 (0.42) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL5028373 0.76 NPC1 (0.43) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL6822542 0.74 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2GAARAB9A
SCHEMBL30367409 0.74 SMN1; SMN2 (0.52) LMNAALDH1A1SMN1; SMN2GAARAB9A

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-9732110-B2 Nucleoside and nucleotide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2016-06-09 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-20160159843-A1 NUCLEOSIDE AND NUCLEOTIDE DERIVATIVES PCNA, ENTPD5, NME2 LMNA 1931/4885ALDH1A1 1228/4885SMN1; SMN2 2924/4885

“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.