SCHEMBL890248

SCHEMBL890248

Cc1ccc(-c2nc(C(C)C)cs2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GFER P55789 1/20 0.44
CCR4 P51679 1/20 0.35
TYK2 P29597 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL889357 0.84 CCR4 (0.34) CCR4TYK2CYP1A2CYP2C9CYP2D6
SCHEMBL10140985 0.83 CCR4 (0.33) CCR4TYK2KDM4E
SCHEMBL890218 0.77 NPC1 (0.50) ALDH1A1MAPTNPC1HSD17B10GFER
SCHEMBL12869429 0.75 KDM4E (0.58) ALDH1A1MAPTNPC1HSD17B10SMN1; SMN2
SCHEMBL12180285 0.73 RAB9A (0.53) ALDH1A1MAPTNPC1SMN1; SMN2KDM4E
SCHEMBL18948971 0.71 NPC1 (0.44) ALDH1A1MAPTNPC1HSD17B10GFER
SCHEMBL10141714 0.71 ALDH1A1 (0.48) ALDH1A1MAPTNPC1HSD17B10GFER
SCHEMBL62767 0.70 SREBF2 (0.50) ALDH1A1MAPTNPC1CCR4SMN1; SMN2
SCHEMBL10022359 0.70 KDM4E (0.50) ALDH1A1MAPTNPC1HSD17B10TYK2
SCHEMBL10147188 0.70 PDE10A (0.40) ALDH1A1MAPTNPC1HSD17B10GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-24 US disclosed
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 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 (4 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-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885MAPT 4133/4885NPC1 36/4885
US-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ALDH1A1 354/4885MAPT 4286/4885NPC1 34/4885
US-20110064695-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ALDH1A1 354/4885MAPT 4286/4885NPC1 34/4885
US-20110070197-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 ALDH1A1 354/4885MAPT 4286/4885NPC1 34/4885

“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.