SCHEMBL846855

SCHEMBL846855

CC(C)(C)c1ccc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 9/20 0.58
KCNH2 Q12809 1/20 0.58
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KIF11 P52732 3/20 0.43
HDAC6 Q9UBN7 1/20 0.42
METAP2 P50579 1/20 0.40
FGFR1 P11362 1/20 0.38
FLT3 P36888 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL13483956 0.88 NPSR1 (0.54) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10284433 0.88 KIF11 (0.47) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20457549 0.88 SCN10A (0.54) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL846652 0.85 SCN10A (0.78) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL12402382 0.85 SCN10A (0.51) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL13896660 0.85 SCN10A (0.44) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL22326618 0.84 SCN10A (0.55) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL23619188 0.83 ALDH1A1 (0.47) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15746214 0.83 SCN10A (0.56) SCN10AKCNH2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL15172648 0.82 SCN10A (0.79) SCN10AKCNH2KIF11HDAC6

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
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-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. 2020-04-16 US disclosed
US-20200030442-A1 COMBINATION THERAPIES CAO ZHU ALEXANDER (US) 2020-01-30 US disclosed
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF Epizyme, Inc. 2019-04-04 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170340733-A1 COMBINATION THERAPIES NOVARTIS AG (CH) 2017-11-30 US disclosed
US-20120039847-A1 Hepatitis C Virus Inhibitors ZHAO SHU-HAI (CN) 2012-02-16 US disclosed
US-20120004196-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-01-05 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
US-20110098327-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-04-28 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
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-03-12 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 (18 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 SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20200030442-A1 COMBINATION THERAPIES BRCA1, TP53, VHL SCN10A 4254/4885KCNH2 4862/4885ALDH1A1 294/4885
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 SCN10A 2990/4885KCNH2 4401/4885ALDH1A1 2119/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20170340733-A1 COMBINATION THERAPIES BRCA1, TP53, VHL SCN10A 4254/4885KCNH2 4862/4885ALDH1A1 294/4885
US-20120039847-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, LIPC SCN10A 4632/4885KCNH2 4104/4885ALDH1A1 802/4885
US-20190100552-A1 INHIBITORS OF PROTEIN METHYLTRANSFERASE DOT1L AND METHODS OF USE THEREOF DOT1L, PRMT1, CARM1 SCN10A 3844/4885KCNH2 4488/4885ALDH1A1 2404/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 SCN10A 835/4885KCNH2 2268/4885ALDH1A1 26/4885
US-20090069282-A1 ALKYNE COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS MCHR1, MCHR2, GPR119 SCN10A 3713/4885KCNH2 2632/4885ALDH1A1 3188/4885
US-20200113923-A1 DOT1L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA DOT1L, CARM1, MCL1 SCN10A 3860/4885KCNH2 4518/4885ALDH1A1 1884/4885
US-10766912-B2 Silicon-containing compound for resistance to hepatitis C virus infection SLC11A2, SLC10A1, SLC39A11 SCN10A 1174/4885KCNH2 2517/4885ALDH1A1 3793/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-20110098327-A1 Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SCN10A 4182/4885KCNH2 4811/4885ALDH1A1 2177/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 SCN10A 1246/4885KCNH2 296/4885ALDH1A1 800/4885
US-20120004196-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS SCN10A 4583/4885KCNH2 4523/4885ALDH1A1 2858/4885

“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.