SCHEMBL1269438

SCHEMBL1269438

C=CCc1cc(F)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
GABRA1 P14867 4/20 0.37
GABRB2 P47870 4/20 0.37
KEAP1 Q14145 1/20 0.37
ATP4A P20648 1/20 0.35
ATP4B P51164 1/20 0.35
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
IDO1 P14902 2/20 0.33
AGXT P21549 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
IMPDH2 P12268 1/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL30660375 1.00 ALDH1A1 (0.45) ALDH1A1GABRA1GABRB2KEAP1ATP4A
SCHEMBL30659431 0.86 ALDH1A1 (0.41) ALDH1A1GABRA1GABRB2KEAP1IDO1
SCHEMBL29114675 0.86 ALDH1A1 (0.41) ALDH1A1GABRA1GABRB2KEAP1IDO1
SCHEMBL31290769 0.81 GABRA1 (0.41) ALDH1A1GABRA1GABRB2IMPDH2POLB
SCHEMBL454406 0.81 GABRA1 (0.41) ALDH1A1GABRA1GABRB2IMPDH2POLB
SCHEMBL30660390 0.81 ALDH1A1 (0.42) ALDH1A1KEAP1ATP4AATP4BHTR2A
Hydrochloric Acid SCHEMBL6307100 0.79 GABRA1 (0.39) ALDH1A1GABRA1GABRB2IMPDH2POLB
SCHEMBL5338575 0.79 GABRA1 (0.59) ALDH1A1GABRA1GABRB2IMPDH2POLB
SCHEMBL12833025 0.79 PSEN1 (0.40) ALDH1A1GABRA1GABRB2HTR2AHTR2C
SCHEMBL9749537 0.78 GABRA1 (0.38) ALDH1A1GABRA1GABRB2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522582-B2 Antiviral indolinyl compounds and uses thereof GILEAD SCIENCES, INC. (US) 2026-01-13 US disclosed
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
EP-4536660-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2025-04-16 EP disclosed
EP-4526289-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2025-03-26 EP disclosed
CN-119546574-A Antiviral indolinyl compounds and uses thereof 吉利德科学公司 2025-02-28 CN disclosed
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 CN disclosed
US-20240101529-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2024-03-28 US disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 WO disclosed
WO-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 WO disclosed
WO-2023225162-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2023-11-23 WO disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-7888345-B2 Benzaepinones as sodium channel blockers MERCK SHARP & DOHME CORP. (US) 2011-02-15 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090181946-A1 Benzaepinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
EP-2032539-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2009-03-11 EP disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 WO disclosed
WO-2007145922-A2 BENZAZEPINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2007-12-21 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 (3 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-20090181946-A1 Benzaepinones as Sodium Channel Blockers TRPV1, TRPA1, KCNN1 ALDH1A1 458/4885GABRA1 77/4885GABRB2 87/4885
US-20240101529-A1 ANTIVIRAL INDOLINYL COMPOUNDS AND USES THEREOF MAVS, IRF3, EIF2AK2 ALDH1A1 2480/4885GABRA1 4851/4885GABRB2 4784/4885
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A ALDH1A1 2933/4885GABRA1 3849/4885GABRB2 2737/4885

“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.