SCHEMBL3094622

SCHEMBL3094622

COC(=O)c1c[nH]c2cc(Cl)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 1.00
CREBBP Q92793 1/20 0.62
ABL1 P00519 1/20 0.51
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
PYGL P06737 1/20 0.51
MAPT P10636 1/20 0.50
CHEK1 O14757 1/20 0.50
MAP2K4 P45985 1/20 0.49
NPC1 O15118 1/20 0.48
AVPR1A P37288 1/20 0.47

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
SCHEMBL4242189 0.88 NR4A2 (1.00) NR4A2CREBBPF7F3PYGL
SCHEMBL29084457 0.85 NR4A2 (0.73) NR4A2CREBBPPYGLMAPTNPC1
SCHEMBL6334125 0.85 NR4A2 (0.74) NR4A2F7F3PYGLMAPT
SCHEMBL4556456 0.84 NR4A2 (0.73) NR4A2CREBBPF7F3PYGL
SCHEMBL5507447 0.84 NR4A2 (0.72) NR4A2CREBBPF7F3PYGL
SCHEMBL6588128 0.83 NR4A2 (1.00) NR4A2CREBBPMAPTNPC1
SCHEMBL6418495 0.83 NR4A2 (0.72) NR4A2CREBBPMAPTNPC1
SCHEMBL2434449 0.83 NR4A2 (0.72) NR4A2CREBBPMAPTNPC1
SCHEMBL31048762 0.83 NR4A2 (0.72) NR4A2CREBBPMAPTNPC1
SCHEMBL3182218 0.82 NR4A2 (0.69) NR4A2F7F3PYGLMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110191882-B Heterocyclic compounds, process for their preparation and pharmaceutical compositions containing them 株式会社大熊制药 2022-09-13 CN disclosed
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-20 US disclosed
WO-2018147626-A1 NOVEL HETEROCYCLIC COMPOUND, ITS PREPARATION METHOD, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-08-16 WO disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
US-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES BISSANTZ CATERINA 2010-10-07 US disclosed
US-7803815-B2 Indol-3-yl-corbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
EP-1912976-B1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOLE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-11-12 EP disclosed
CN-101268067-A Indol-3-yl-carbonyl-piperidine-benzimidazole derivatives as V1A receptor antagonists HOFFMANN LA ROCHE (CH) 2008-09-17 CN disclosed
EP-1912976-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-23 EP disclosed
WO-2007009906-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives HOFFMANN-LA ROCHE INC. 2007-01-25 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 (4 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-20100256140-A1 INDOL-3-YL-CARBONYL-PIPERIDIN-BENZOIMIDAZOL DERIVATIVES AVPR1A, AVPR2, AVPR1B NR4A2 1974/4885CREBBP 2474/4885ABL1 2896/4885
US-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 NR4A2 3995/4885CREBBP 3960/4885ABL1 4006/4885
US-20070021463-A1 Indol-3-yl-carbonyl-piperidin-benzoimidazol derivatives AVPR1A, AVPR2, AVPR1B NR4A2 1974/4885CREBBP 2474/4885ABL1 2896/4885
US-10981917-B2 Heterocyclic compound, its preparation method, and pharmaceutical composition comprising the same RNASE1, AARS1, DHPS NR4A2 4274/4885CREBBP 483/4885ABL1 2714/4885

“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.