SCHEMBL868599

SCHEMBL868599

CCc1ccc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCN10A Q9Y5Y9 2/20 0.40
KCNH2 Q12809 1/20 0.40
KIF11 P52732 1/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
DAO P14920 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ELANE P08246 1/20 0.35
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DDAH1 O94760 1/20 0.35

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
SCHEMBL12231816 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL10233667 0.85 NPSR1 (0.53) SMN1; SMN2ALDH1A1L3MBTL1KIF11KDM4E
SCHEMBL18727321 0.85 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL20863743 0.84 TUBB4A (0.41) SMN1; SMN2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL23619188 0.79 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL13896660 0.78 SCN10A (0.44) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL3265753 0.77 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KIF11DAOKDM4E
SCHEMBL846855 0.77 SCN10A (0.58) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL10005347 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1L3MBTL1SCN10AKCNH2
SCHEMBL3266627 0.77 DDAH1 (0.59) SMN1; SMN2KIF11DAONPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US disclosed
US-9802949-B2 Fused ring compounds as hepatitis C virus inhibitors, pharmaceutical compositions and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-10-31 US 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-8143414-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 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-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 US disclosed
US-20110092415-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-04-21 US disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (12 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 SMN1; SMN2 3366/4885ALDH1A1 787/4885L3MBTL1 297/4885
US-20120115918-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 SMN1; SMN2 3068/4885ALDH1A1 26/4885L3MBTL1 1763/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 SMN1; SMN2 1177/4885ALDH1A1 3793/4885L3MBTL1 3568/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4418/4885ALDH1A1 2177/4885L3MBTL1 2192/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885
US-20120172290-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885ALDH1A1 2858/4885L3MBTL1 2364/4885

“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.