SCHEMBL84456

SCHEMBL84456

CC(C)c1cccc(C(N)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.57
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP3A4 P08684 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MDM4 O15151 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CA5A P35218 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL30154821 1.00 PARP1 (0.57) PARP1RXRARXRBRXRGMAPT
SCHEMBL13524581 0.89 RXRA (0.61) PARP1RXRARXRBRXRG
SCHEMBL211856 0.86 PARP1 (0.55) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL8255364 0.86 PARP1 (0.55) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL8249965 0.86 PARP1 (0.55) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL12052133 0.86 PARP1 (0.55) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
Hydrochloric Acid SCHEMBL4983486 0.85 PARP1 (0.53) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL16957975 0.85 PARP1 (0.53) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL215100 0.85 PARP1 (0.53) PARP1MAPTSMN1; SMN2CYP3A4KDM4E
SCHEMBL28041422 0.85 PARP1 (0.53) PARP1MAPTSMN1; SMN2CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399198-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 Taipei Medical University (TW) 2024-07-17 EP claimed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 CN claimed
WO-2023035005-A2 DUAL INHIBITOR OF HISTONE DEACETYLASE 6 AND HEAT SHOCK PROTEIN 90 TAIPEI MEDICAL UNIVERSITY (TW) 2023-03-09 WO claimed
EP-3749646-B1 HETEROARYL COMPOUNDS AS KINASE INHIBITOR FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) 2022-04-06 EP claimed
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-05-17 US claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers NOVARTIS AG (CH) 2010-02-04 US claimed
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases NOVARTIS AG (CH) 2009-01-29 US claimed
EP-1996558-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
EP-1996578-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES Novartis AG (CH) 2008-12-03 EP claimed
WO-2008009487-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2008-01-24 WO claimed
WO-2007104538-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2007-09-20 WO claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
EP-4559918-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Genzyme Corporation (US) 2025-05-28 EP disclosed
EP-3673906-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS GENZYME CORP (US) 2025-05-14 EP disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed
US-4792628-A ANTIOXIDANTS, ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-12-20 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 (6 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-20100029626-A1 Cyclic sulfones useful as mitochondrial sodium-calcium exchangers SLC8B1, MCU, GLS PARP1 3604/4885RXRA 4623/4885RXRB 4597/4885
US-20090030009-A1 Heterobicyclic Carboxamides as Inhibitors for Kinases PHKG1, MAP3K20, CDK2 PARP1 621/4885RXRA 4128/4885RXRB 3741/4885
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PARP1 2549/4885RXRA 2802/4885RXRB 3138/4885
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds MAPKAPK2, MAP4K2, MAP3K2 PARP1 2549/4885RXRA 2802/4885RXRB 3138/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP PARP1 4197/4885RXRA 4853/4885RXRB 4795/4885
US-20120122857-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES MAP3K20, PHKG1, PHKG2 PARP1 589/4885RXRA 4086/4885RXRB 3617/4885

“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.