SCHEMBL12810097

SCHEMBL12810097

Cc1nc2ccc(/C=C/c3ccc(C(C)C)s3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ MAPT P10636 2/20 0.41
▸ LDHA P00338 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 4/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ CLK1 P49759 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CLK4 Q9HAZ1 2/20 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
SCHEMBL888948 0.87 INSR (0.36) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL12810233 0.83 PTGS1 (0.51) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL12810133 0.77 PTGS1 (0.48) SMN1; SMN2MAPTMEN1KMT2ARAB9A
SCHEMBL27936386 0.74 SMN1; SMN2 (0.53) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL12810095 0.72 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL29882188 0.72 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL28820698 0.72 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL6268298 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL6268297 0.71 SMN1; SMN2 (0.49) SMN1; SMN2MAPTLDHAKDM4EMEN1
SCHEMBL30224526 0.70 SMN1; SMN2 (0.56) SMN1; SMN2MAPTLDHAKDM4EMEN1

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 SMN1; SMN2 4269/4885MAPT 4286/4885LDHA 1441/4885

“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.

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