SCHEMBL3968543

SCHEMBL3968543

Cc1ccc(=O)n(-c2ncc[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
BLM P54132 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK14 Q16539 5/20 0.40
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HIPK2 Q9H2X6 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 2/20 0.35
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
ALOX5 P09917 1/20 0.33
TNKS O95271 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL10402412 0.72 HIPK2 (0.40) NISCHHIPK2
SCHEMBL5508863 0.69 NISCH (0.50) ALDH1A1KDM4ECYP1A2HSD17B10NISCH
SCHEMBL143243 0.68 ALDH1A1 (0.67) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL5166485 0.68 KDM4E (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL356681 0.68 ALDH1A1 (0.80) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL14883628 0.66 NISCH (0.47) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL3970272 0.66 ALDH1A1 (0.77) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL6474210 0.66 HIPK2 (0.43) ALDH1A1HIPK2SMN1; SMN2
SCHEMBL10025187 0.65 KDM4E (0.74) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL27250688 0.64 KDM4E (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514348-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) Noetix Pharma LLC (US) 2025-03-05 EP claimed
US-20240299698-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) NOETIX PHARMA LLC 2024-09-12 US claimed
WO-2023211684-A2 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) NOETIX PHARMA LLC (US) 2023-11-02 WO claimed
EP-0866656-B1 USE OF N-SUBSTITUTED PYRIDONES AS TUMOR NECROSIS FACTOR ALPHA INHIBITORS MARGOLIN SOLOMON B (US) 2007-04-25 EP claimed
EP-1261338-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2006-06-14 EP claimed
EP-1069898-B1 TOPICAL ANTISEPTIC COMPOSITIONS AND METHODS MARGOLIN SOLOMON B (US) 2004-05-12 EP claimed
EP-0813409-B1 TREATMENT OF CYTOKINE GROWTH FACTOR CAUSED DISORDERS MARGOLIN SOLOMON B (US) 2004-05-06 EP claimed
EP-1261338-A4 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR INC (US) 2004-05-06 EP claimed
EP-1261338-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY Cymar, Inc. (US) 2002-12-04 EP claimed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO claimed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 US claimed
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2024-07-02 US disclosed
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2023-05-18 US disclosed
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2023-01-24 US disclosed
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2022-07-14 US disclosed
WO-2001062253-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EPILEPSY CYMAR, INC. (US) 2001-08-30 WO disclosed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 US disclosed
US-4052509-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-10-04 US disclosed
US-4042699-A 5-METHYL-1-PHENYL-2-(1H)-PYRIDONE AFFILIATED MEDICAL RESEARCH, INC. (US) 1977-08-16 US disclosed
US-3974281-A ANALGESICS, ANTI-PYRETIC AND ANTI-INFLAMMATORY AGENTS AFFILIATED MEDICAL RESEARCH, INC. (US) 1976-08-10 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 (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-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ALDH1A1 167/4885KDM4E 2879/4885CYP1A2 123/4885
US-20240299698-A1 PREVENTION AND TREATMENT OF POST-OPERATIVE COGNITIVE DYSFUNCTION (POCD) CHAT, PNPO, PLPBP ALDH1A1 1343/4885KDM4E 3737/4885CYP1A2 486/4885
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK ALDH1A1 167/4885KDM4E 2879/4885CYP1A2 123/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ALDH1A1 167/4885KDM4E 2879/4885CYP1A2 123/4885
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK ALDH1A1 167/4885KDM4E 2879/4885CYP1A2 123/4885

“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.