SCHEMBL2415101

SCHEMBL2415101

Cc1ccc(C(C)C(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
ACHE P22303 1/20 0.46
STAT3 P40763 1/20 0.42
LMNA P02545 5/20 0.41
ALDH1A1 P00352 4/20 0.41
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
FAAH O00519 1/20 0.39
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
RARB P10826 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
AKR1C3 P42330 1/20 0.38
NR1I3 Q14994 1/20 0.38

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
SCHEMBL9257901 0.91 PTGS2 (0.46) ALOX5LMNAPTGS2FAAHALB
SCHEMBL5444246 0.82 ESR1 (0.52) ALOX5LMNAPTGS2SMN1; SMN2FAAH
SCHEMBL621292 0.82 BRD4 (0.50) ALDH1A1CES2CES1PTGS2SMN1; SMN2
SCHEMBL8956391 0.82 PTGS2 (0.61) ALOX5LMNAALDH1A1PTGS2ALB
SCHEMBL27774472 0.81 ALOX5 (0.48) ALOX5ACHESTAT3LMNAALDH1A1
SCHEMBL11721635 0.81 CYP1A2 (0.46) LMNAPTGS2CYP2C9PTGS1AKR1C3
SCHEMBL8427951 0.80 GRM7 (0.45) LMNAALDH1A1CES2CES1PTGS2
SCHEMBL8427952 0.80 GRM7 (0.45) LMNAALDH1A1CES2CES1PTGS2
SCHEMBL28776369 0.80 PTGS2 (0.39) ALOX5LMNAPTGS2FAAHALB
SCHEMBL2291864 0.80 CYP1A2 (0.48) ALOX5LMNAALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112294816-B Application of ethyl benzamide compound in preparation of local anesthetic 四川大学华西医院 2021-07-30 CN disclosed
CN-112294816-A Application of ethyl benzamide compound in preparation of local anesthetic 四川大学华西医院 2021-02-02 CN disclosed
CN-102803269-B Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-01-13 CN disclosed
CN-102803269-A Thieno [2,3-B ] pyrimidinedione activators of AMPK and therapeutic uses thereof POXEL 2012-11-28 CN disclosed
EP-1559716-B1 PYRAZOLONAPHTHYRIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2011-09-14 EP disclosed
US-20100093782-A1 Pyrazolonaphthyridine derivatives KANAZAWA HASHIME 2010-04-15 US disclosed
US-7608716-B2 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-27 US disclosed
US-7012138-B1 Chiral polysaccharide esters, one of the methods for preparing them and their uses for obtaining optically enriched acids or for chiral chromatography UNIVERSITE DE DROIT D'ECONOMIE ET DES SCIENCES D'AIZ-MARSEILLE (FR) 2006-03-14 US disclosed
US-20060040972-A1 Pyrazolonaphthyridine derivative ASKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1559716-A1 PYRAZOLONAPHTHYRIDINE DERIVATIVE Grelan Pharmaceutical Co., Ltd. (JP) 2005-08-03 EP disclosed
US-5703074-A OSTEOPOROSIS ADIR ET COMPAGNIE (FR) 1997-12-30 US disclosed
CN-1107838-A Tricyclic indole-2-carboxylic acid derivatives SUMITOMO PHARMA (JP) 1995-09-06 CN 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 (2 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-20060040972-A1 Pyrazolonaphthyridine derivative PDE3B, PDE3A, PDE4A ALOX5 2455/4885ACHE 862/4885STAT3 2769/4885
US-20100093782-A1 Pyrazolonaphthyridine derivatives PDE3B, PDE3A, PDE4A ALOX5 2380/4885ACHE 877/4885STAT3 2728/4885

“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.