SCHEMBL2056376

SCHEMBL2056376

CCc1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ DAO P14920 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ HTT P42858 1/20 0.45
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43

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
SCHEMBL2056352 0.88 GRIN2D (0.59) GAAPKMALDH1A1MAPTDAO
SCHEMBL5393113 0.84 GAA (0.59) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL13303940 0.83 GAA (0.68) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL2056368 0.81 ALDH1A1 (0.50) GAAPKMALDH1A1MAPTDAO
SCHEMBL7028425 0.81 KIF11 (0.54) GAAPKMALDH1A1MAPTDAO
SCHEMBL6767882 0.80 GAA (0.54) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL6767993 0.80 GAA (0.54) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL12332829 0.80 GAA (0.54) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL1824734 0.80 GAA (0.54) GAAPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL23483766 0.79 MEN1 (0.70) ALDH1A1MAPTDAOKDM4EKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749355-B1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIV MIAMI (US) 2024-07-03 — — EP disclosed
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS ITALFARMACO SPA (IT) 2023-09-14 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 — — WO disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 — — US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 — — US disclosed
US-20220017762-A1 INK JET INK FOR FORMING AN INFRARED ABSORBING IMAGE, INFRARED ABSORBING IMAGE FORMING METHOD, AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2022-01-20 — — US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-11130758-B2 Tetrahydropyrazolopyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-09-28 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 — — US disclosed
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-02-22 — — US disclosed
US-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 — — US disclosed
EP-1221443-B1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-01 — — EP disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 — — US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 — — WO disclosed
US-6699880-B1 STIMULATE MUSCARINIC ACETYLCHOLINE RECEPTORS M4, ANALGESICS BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-02 — — US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 — — EP disclosed
EP-1221443-A1 SUBSTITUTED IMIDAZOLIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-07-10 — — EP 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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 GAA 1797/4885PKM 2748/4885ALDH1A1 2060/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB GAA 910/4885PKM 716/4885ALDH1A1 550/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 GAA 2050/4885PKM 1201/4885ALDH1A1 1543/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GAA 344/4885PKM 2518/4885ALDH1A1 1892/4885
US-20230286970-A1 NOVEL OXADIAZOLE-BASED SELECTIVE HDAC6 INHIBITORS HDAC6, HDAC1, HDAC3 GAA 1029/4885PKM 2222/4885ALDH1A1 980/4885
US-20070043033-A1 Unsolvated benzodiazepine compositions and methods GABRA5, GABRA3, GABRA6 GAA 2022/4885PKM 771/4885ALDH1A1 2225/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 GAA 2275/4885PKM 24/4885ALDH1A1 2061/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB GAA 3303/4885PKM 1587/4885ALDH1A1 3517/4885
US-11130758-B2 Tetrahydropyrazolopyrimidine compounds SSB, TLR8, TLR9 GAA 2945/4885PKM 1867/4885ALDH1A1 3879/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB GAA 910/4885PKM 716/4885ALDH1A1 550/4885

“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.

Send feedback