SCHEMBL12810233

SCHEMBL12810233

Cc1ccc(/C=C/c2ccc3nc(C)sc3c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.51
▸ PTGS2 P35354 1/20 0.51
▸ RAB9A P51151 6/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 8/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ LDHA P00338 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ LMNA P02545 2/20 0.39

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
SCHEMBL12810133 0.85 PTGS1 (0.48) PTGS1PTGS2RAB9ATDP1MEN1
SCHEMBL12810097 0.83 SMN1; SMN2 (0.43) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL28820698 0.76 SMN1; SMN2 (0.50) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL29882188 0.76 SMN1; SMN2 (0.50) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL10031353 0.75 PTGS1 (0.53) PTGS1PTGS2RAB9ATDP1MEN1
SCHEMBL13788744 0.75 PTGS1 (0.63) PTGS1PTGS2RAB9ATDP1MEN1
SCHEMBL6268298 0.75 SMN1; SMN2 (0.49) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL6268297 0.75 SMN1; SMN2 (0.49) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL30224526 0.74 SMN1; SMN2 (0.56) RAB9ATDP1MEN1KMT2AMAPT
SCHEMBL4533808 0.74 SMN1; SMN2 (0.56) RAB9ATDP1MEN1KMT2AMAPT

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-20110064697-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 (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-20110064697-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 PTGS1 607/4885PTGS2 1304/4885RAB9A 3060/4885

“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.

Send feedback