SCHEMBL6445284

SCHEMBL6445284

O=Cn1cccc1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.41
KDR P35968 3/20 0.36
MAP4K4 O95819 2/20 0.36
PRKACA P17612 2/20 0.36
CDK8 P49336 2/20 0.36
MAP2K1 Q02750 2/20 0.36
MAP4K2 Q12851 2/20 0.36
ROCK1 Q13464 2/20 0.36
DYRK1A Q13627 2/20 0.36
AURKB Q96GD4 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CHEK1 O14757 1/20 0.36
CSF1R P07333 1/20 0.36
ACVR1 Q04771 1/20 0.36
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.33
GLO1 Q04760 2/20 0.33
NTSR1 P30989 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL7775762 0.84 TRIM24 (0.36) ATM
SCHEMBL6447679 0.78 PCSK9 (0.41) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL28277444 0.70 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
Formamide SCHEMBL28739639 0.68 ATM (0.52) PCSK9ATMALDH1A1MAPTKDM4E
SCHEMBL21765829 0.67 PCSK9 (0.40) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL21765632 0.66 PCSK9 (0.35) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL12468216 0.65 ESR1 (0.46) KDRMAP4K4PRKACACDK8MAP2K1
SCHEMBL1491966 0.65
SCHEMBL16152323 0.65 PCSK9 (0.45) PCSK9KDRMAP4K4PRKACACDK8
SCHEMBL6444709 0.65 PCSK9 (0.73) PCSK9KDRMAP4K4PRKACACDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217458-A 2-carbonyl-5-phenylpyrrole compound, preparation method, application and derivative thereof, and pharmaceutical composition 湖北民族大学 2023-06-06 CN disclosed
US-20160115542-A1 BIOMARKER OF Nrf2 ACTIVATION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-04-28 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0374097-A2 Use of peptide isosteres as retroviral protease inhibitors CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
EP-0374098-A2 Inhibitors of retroviral proteases CIBA-GEIGY AG (CH) 1990-06-20 EP disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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 (1 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 PCSK9 61/4885KDR 4473/4885MAP4K4 4664/4885

“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.