SCHEMBL868280

SCHEMBL868280

CCc1nc2cc3[nH]c(C(C)(C)C)nc3cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
DDAH1 O94760 1/20 0.47
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.41
KCNH2 Q12809 1/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
POLB P06746 2/20 0.39
KDM4E B2RXH2 1/20 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
SCHEMBL846648 0.79 KDM4E (0.56) HTTALDH1A1SMN1; SMN2L3MBTL1KMT2A
SCHEMBL26031617 0.77 GAA (0.62) GAAHTTDDAH1ALDH1A1KMT2A
SCHEMBL3266088 0.76 GAA (0.53) GAAHTTDDAH1KMT2AMAPT
SCHEMBL12231816 0.75 ALDH1A1 (0.54) HTTALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL868599 0.75 SMN1; SMN2 (0.43) DDAH1ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL3265305 0.75 DDAH1 (0.54) GAAHTTDDAH1SCN10AKCNH2
SCHEMBL12190473 0.75 SCN10A (0.58) GAAHTTDDAH1KMT2ASCN10A
SCHEMBL10248126 0.74 FABP6 (0.55) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMAPT
SCHEMBL8845396 0.74 KMT2A (0.70) GAAHTTDDAH1KMT2AMAPT
SCHEMBL12438207 0.73 ALDH1A1 (0.42) GAAHTTALDH1A1SMN1; SMN2L3MBTL1

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-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS GAA 307/4885HTT 4611/4885DDAH1 2280/4885

“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.