Sugi Predict

Sugi Predict / Compounds / SCHEMBL203526

SCHEMBL203526

SCHEMBL203526

CC(C)(C)OC(=O)N1CCCC1c1nc(Br)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ UCHL1 P09936 3/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ TSHR P16473 5/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ USP30 Q70CQ3 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL2708976 1.00 ALDH1A1 (0.44) ALDH1A1UCHL1KMT2ATSHRL3MBTL1
SCHEMBL47020 1.00 ALDH1A1 (0.44) ALDH1A1UCHL1KMT2ATSHRL3MBTL1
SCHEMBL12531110 0.86 ALDH1A1 (0.45) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL903805 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL17396047 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL17396048 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL2516472 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL2516470 0.85 ALDH1A1 (0.44) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL17947973 0.84 ALDH1A1 (0.46) ALDH1A1KMT2ATSHRL3MBTL1MEN1
SCHEMBL607196 0.83 KMT2A (0.45) ALDH1A1UCHL1KMT2ATSHRMEN1

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 90 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
CN-106588890-B Antiviral compounds 吉利德制药有限责任公司 2020-11-27 — — CN disclosed
EP-3699176-A2 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-08-26 — — EP disclosed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 — — WO disclosed
US-20200123132-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2020-04-23 — — US disclosed
EP-3626716-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2020-03-25 — — EP disclosed
US-10344019-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2019-07-09 — — US disclosed
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 — — EP 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
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 — — EP disclosed
US-20110207699-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2011-08-25 — — 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-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-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 — — US disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 — — WO disclosed
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
WO-2010096462-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC (US) 2010-08-26 — — WO 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 (10 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 ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885
US-10344019-B2 Antiviral compounds MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885UCHL1 2864/4885KMT2A 3803/4885
US-20110092415-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885
US-20110207699-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885
US-20100221216-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885UCHL1 2831/4885KMT2A 2957/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885
US-20200123132-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885UCHL1 2864/4885KMT2A 3803/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 ALDH1A1 3957/4885UCHL1 2864/4885KMT2A 3803/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885UCHL1 2679/4885KMT2A 4093/4885

“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.