SCHEMBL3265305

SCHEMBL3265305

CCc1nc2cc(C(C)(C)C)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.54
GAA P10253 2/20 0.51
HTT P42858 1/20 0.51
PDE10A Q9Y233 1/20 0.44
SCN10A Q9Y5Y9 7/20 0.43
KCNH2 Q12809 1/20 0.43
KIF11 P52732 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TNKS2 Q9H2K2 1/20 0.38
METAP2 P50579 1/20 0.38
PRKCZ Q05513 1/20 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
SCHEMBL18659849 0.87 PDE10A (0.48) DDAH1PDE10ASCN10AKCNH2
SCHEMBL12190473 0.87 SCN10A (0.58) DDAH1GAAHTTPDE10ASCN10A
SCHEMBL10284701 0.85 DDAH1 (0.53) DDAH1GAAHTTPDE10AKIF11
SCHEMBL10183575 0.85 SCN10A (0.48) DDAH1PDE10ASCN10AKCNH2KIF11
SCHEMBL10202450 0.83 CYP2C19 (0.45) DDAH1PDE10ASCN10AKCNH2KIF11
SCHEMBL9286654 0.79 RAD52 (0.47) PDE10ASCN10A
SCHEMBL9886999 0.79 PDE10A (0.47) PDE10ASCN10AKCNH2HDAC6
Hydrochloric Acid SCHEMBL9285292 0.78 PDE10A (0.46) PDE10AHDAC6
SCHEMBL12402382 0.78 SCN10A (0.51) PDE10ASCN10AKCNH2KIF11HDAC6
SCHEMBL846855 0.77 SCN10A (0.58) SCN10AKCNH2KIF11HDAC6METAP2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3604295-A1 SILICON-CONTAINING COMPOUND FOR RESISTANCE TO HEPATITIS C VIRUS INFECTION Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-02-05 EP disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20120172290-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-07-05 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-20120115918-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2012-05-10 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 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 (9 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 DDAH1 496/4885GAA 2923/4885HTT 4308/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 DDAH1 480/4885GAA 4034/4885HTT 3670/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS DDAH1 1418/4885GAA 223/4885HTT 1821/4885

“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.