SCHEMBL12438207

SCHEMBL12438207

CCc1cc2[nH]c(C(C)(C)C)nc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN10A Q9Y5Y9 3/20 0.39
KCNH2 Q12809 1/20 0.39
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
PDE10A Q9Y233 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
AR P10275 2/20 0.32
AAK1 Q2M2I8 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL23178675 0.86 L3MBTL1 (0.41) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL15746234 0.80 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL12231813 0.78 GAA (0.54) KDM4EMAPTPOLBPDE10AGAA
SCHEMBL13154863 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL24781224 0.77 FABP6 (0.49) ALDH1A1GAAHTT
SCHEMBL10140553 0.77 GAA (0.34) GAAHTTPARP1
SCHEMBL10141239 0.74 HSD17B10 (0.49) ALDH1A1SCN10AKDM4EHPGDGAA
SCHEMBL13122859 0.74 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL868280 0.73 GAA (0.57) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL23843279 0.73 NOS1 (0.36) ALDH1A1SMN1; SMN2L3MBTL1HPGDPOLB

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 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 (2 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 ALDH1A1 901/4885SMN1; SMN2 4341/4885L3MBTL1 195/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885SMN1; SMN2 4162/4885L3MBTL1 2575/4885

“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.