SCHEMBL10147267

SCHEMBL10147267

CCc1cc2ncc(C(C)C)cc2[nH]1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.33
PARP1 P09874 2/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 2/20 0.30
GAA P10253 1/20 0.30
KIF11 P52732 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL25093785 0.80 PARP1 (0.48) PARP1
SCHEMBL890257 0.77 SCN10A (0.36) SCN10APARP1KIF11
SCHEMBL13188063 0.77 CYP1A2 (0.36) CYP1A2HTTGAAKMT2A
SCHEMBL13154918 0.77 SCN10A (0.36) SCN10APARP1CYP1A2KIF11
SCHEMBL12598748 0.77 PARP1 (0.36) PARP1HTTGAAKIF11
SCHEMBL15367280 0.76 DYRK1A (0.46) HTTGAA
SCHEMBL12824185 0.76 SCN10A (0.35) SCN10APARP1KIF11
SCHEMBL13122864 0.73 SCN10A (0.33) SCN10AKIF11
SCHEMBL13154861 0.72 NR3C1 (0.47) HTTGAA
SCHEMBL25092963 0.71 PARP1 (0.38) PARP1CYP1A2MEN1KMT2A

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-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SCN10A 4134/4885PARP1 2765/4885CYP1A2 205/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 SCN10A 4160/4885PARP1 2356/4885CYP1A2 375/4885

“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.