SCHEMBL143208

SCHEMBL143208

O=c1ccc(C(F)(F)F)cn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
BLM P54132 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 3/20 0.44
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.43
CBL P22681 1/20 0.43
CBLB Q13191 1/20 0.43
TSHR P16473 1/20 0.43
KIF11 P52732 1/20 0.42
POLB P06746 1/20 0.42
BACE1 P56817 1/20 0.41
GLO1 Q04760 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ITGA4 P13612 1/20 0.39

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
SCHEMBL12333052 0.88 GSK3A (0.42) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10079103 0.87 ALDH1A1 (0.56) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10078785 0.87 ALDH1A1 (0.51) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL4860704 0.86 HTT (0.55) ALDH1A1CYP1A2MAPTCBLCBLB
SCHEMBL10079857 0.84 KDM4E (0.49) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL10079090 0.83 TRPV1 (0.44) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL16479475 0.83 CBL (0.46) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL142716 0.83 NPC1 (0.46) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL18216834 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ECYP1A2HPGDBLM
SCHEMBL31334475 0.82 CBL (0.45) 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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256405-B 5-alkyl-N-substituted aryl pyridone derivative and preparation method and application thereof 四川国康药业有限公司 2022-04-01 CN disclosed
CN-110256405-A 5- alkyl-N- substituted aryl Pyridione derivatives and its preparation method and application 四川国康药业有限公司 2019-09-20 CN disclosed
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-10010536-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2018-07-03 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2017-04-06 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
US-9527816-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2016-12-27 US disclosed
EP-2591784-B1 Pyridine-2-one-derivatives as modulators of stress-activated protein kinase system INTERMUNE INC (US) 2016-09-14 EP disclosed
WO-2015171345-A1 N-ARYL PYRIDINONES MODULATORS OF FIBROSIS AND/OR COLLAGEN INFILTRATION AUSPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. 2010-09-23 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
US-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. 2010-07-29 US disclosed
WO-2010085805-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS INTERMUNE, INC. (US) 2010-07-29 WO disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-7728013-B2 Method of modulating stress-activated protein kinase system INTERMUNE, INC. (US) 2010-06-01 US disclosed
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds INTERMUNE, INC. 2010-02-04 US disclosed
WO-2007062167-A9 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE INC (US) 2007-07-26 WO disclosed
WO-2007062167-A2 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM INTERMUNE, INC. (US) 2007-05-31 WO disclosed
WO-2007053685-A2 METHODS OF TREATING ATRIAL FIBRILLATION WITH P38 INHIBITOR COMPOUNDS INTERMUNE, INC. (US) 2007-05-10 WO 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-20100190731-A1 METHODS FOR TREATING ACUTE MYOCARDIAL INFARCTIONS AND ASSOCIATED DISORDERS TNNI3, FABP3, TNNT2 ALDH1A1 94/4885KDM4E 2408/4885CYP1A2 2127/4885
US-20100240704-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885KDM4E 3655/4885CYP1A2 2848/4885
US-20100029578-A1 Methods of Treating Atrial Fibrillation with P38 Inhibitor Compounds ATF1, MAPKAPK3, MAPKAPK2 ALDH1A1 900/4885KDM4E 4212/4885CYP1A2 1526/4885
US-10010536-B2 Method of modulating stress-activated protein kinase system MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885KDM4E 3655/4885CYP1A2 2848/4885
US-20170095462-A1 METHOD OF MODULATING STRESS-ACTIVATED PROTEIN KINASE SYSTEM MAPKAPK2, MAP3K6, MAP4K1 ALDH1A1 3375/4885KDM4E 3655/4885CYP1A2 2848/4885

“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.