SCHEMBL4723110

SCHEMBL4723110

O=c1[nH]ccc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.47
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
CES1 P23141 6/20 0.38
PDPK1 O15530 1/20 0.35
MAPT P10636 2/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33

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
SCHEMBL917625 0.96 PARP1 (0.43) PARP1CES1PDPK1MAPTBCL2L1
SCHEMBL31208007 0.94 PARP1 (0.42) PARP1CES1PDPK1MAPTBCL2L1
SCHEMBL25365116 0.94 PARP1 (0.42) PARP1CES1PDPK1MAPTBCL2L1
SCHEMBL16064614 0.74 CD44 (0.46)
SCHEMBL29850336 0.74 PNMT (0.46) PARP1
SCHEMBL23944932 0.72 PARP1 (0.46) PARP1CES1BCL2L1BADKIF11
SCHEMBL9536649 0.72 PARP1 (0.32) PARP1
SCHEMBL6390443 0.72 CYP2A6 (0.48) PARP1CES1MAPT
Hydrochloric Acid SCHEMBL16043719 0.72 CD44 (0.44)
SCHEMBL1160085 0.71 MAOA (0.43) PARP1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612156-A1 ANTI-VIRAL COMPOUNDS Aligos Therapeutics, Inc. (US) 2025-09-10 EP disclosed
EP-4134364-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2025-07-30 EP disclosed
WO-2025119351-A1 GPR139 AGONIST 深圳湾实验室 2025-06-12 WO disclosed
US-20240199647-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-20 US disclosed
US-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-06-20 US disclosed
US-20240182444-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-06-06 US disclosed
US-20240182490-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2024-06-06 US disclosed
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
WO-2024086111-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
WO-2024059845-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-03-21 WO disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US disclosed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 WO disclosed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 WO disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 US disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 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 (5 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-20240199604-A1 SUPRAMOLECULAR POLYMER THERAPEUTICS AND DIAGNOSTICS MAPT, HTT, PSEN1 PARP1 43/4885GRIN2D 1246/4885GRIN3B 720/4885
US-20240182490-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PARP1 135/4885GRIN2D 3419/4885GRIN3B 2116/4885
US-20240182444-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 PARP1 3601/4885GRIN2D 4721/4885GRIN3B 3416/4885
US-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PARP1 135/4885GRIN2D 3419/4885GRIN3B 2116/4885
US-20240199647-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 PARP1 3601/4885GRIN2D 4721/4885GRIN3B 3416/4885

“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.