SCHEMBL2494035

SCHEMBL2494035

COc1cc([N+](=O)[O-])c(F)cc1C=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
MAPT P10636 3/20 0.68
KDM4E B2RXH2 2/20 0.68
PRKDC P78527 2/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 3/20 0.52
TSHR P16473 1/20 0.52
ERN1 O75460 1/20 0.49
HPGD P15428 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
ESPL1 Q14674 1/20 0.41
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL12322919 0.87 ALDH1A1 (0.78) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL19331554 0.86 ALDH1A1 (0.77) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL16370854 0.85 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL31377991 0.84 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL1766175 0.84 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL3847699 0.83 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL512256 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL29804996 0.82 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL5210790 0.82 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EPRKDCCYP3A4
SCHEMBL211200 0.81 ALDH1A1 (1.00) ALDH1A1MAPTKDM4EPRKDCCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256464-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2022-05-11 EP disclosed
CN-107207473-B Compounds having muscarinic receptor antagonist and β 2 adrenergic receptor agonist activity 奇斯药制品公司 2020-07-07 CN disclosed
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-26 US disclosed
EP-3256464-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2017-12-20 EP disclosed
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-04 US disclosed
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 US disclosed
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 US disclosed
WO-2016128456-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-08-18 WO disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-3019475-A1 ARYL AMIDE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 ALDH1A1 2563/4885MAPT 2833/4885KDM4E 1125/4885
US-20160235734-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ALDH1A1 1130/4885MAPT 1913/4885KDM4E 4511/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 ALDH1A1 2563/4885MAPT 2833/4885KDM4E 1125/4885
US-10004728-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B ALDH1A1 1130/4885MAPT 1913/4885KDM4E 4511/4885
US-20170119753-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ALDH1A1 1130/4885MAPT 1913/4885KDM4E 4511/4885
US-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 ALDH1A1 100/4885MAPT 1573/4885KDM4E 3163/4885

“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.