SCHEMBL2292715

SCHEMBL2292715

O=C(O)c1ccc(CC2OCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
NR4A1 P22736 1/20 0.44
APEX1 P27695 1/20 0.44
APOBEC3A P31941 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL27595482 0.93 ALDH1A1 (0.46) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL18259882 0.86 NR4A2 (0.60) POLBNR4A1SMN1; SMN2SRD5A2
SCHEMBL2783327 0.81 ALDH1A1 (0.48) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL11368337 0.79 RARB (0.50) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL3150745 0.79 FOLH1 (0.54) ALDH1A1KMT2AHIF1AGRIK1ANPEP
SCHEMBL22722 0.77 GBA1 (0.42) TSHR
SCHEMBL8024954 0.76 KMT2A (0.48) ALDH1A1TSHRKMT2AMEN1
SCHEMBL2812600 0.76 KMT2A (0.56) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL21155257 0.75 ESR1 (0.44) ALDH1A1L3MBTL1KDM4ECA2
SCHEMBL14166113 0.75 TSHR (0.39) TSHRCA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107690432-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2019-12-24 CN disclosed
EP-3303333-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2019-11-20 EP disclosed
EP-3303333-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2018-04-11 EP disclosed
EP-3292118-A1 AMINOESTER DERIVATIVES Chiesi Farmaceutici S.p.A. (IT) 2018-03-14 EP disclosed
EP-2928879-B1 PHENYLETHYLPYRIDINE DERIVATIVES AS PDE4-INHIBITORS AND MUSCARINIC RECEPTOR ANTAGONISTS CHIESI FARM SPA (IT) 2018-02-28 EP disclosed
US-9809582-B2 Aminoester derivatives CHIESI FARMACEUTICI S.P.A. (IT) 2017-11-07 US disclosed
US-9662323-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-05-30 US disclosed
CN-104854105-B Compounds having muscarinic receptor antagonist and beta 2 adrenergic receptor agonist activity 奇斯药制品公司 2017-05-17 CN disclosed
WO-2016193241-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-08 WO disclosed
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2016-12-01 US disclosed
EP-2012780-A4 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LAB (US) 2009-06-24 EP disclosed
EP-2012780-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2009-01-14 EP disclosed
US-7462724-B2 Substituted 1H-benzimidazole-4-carboxamides are potent PARP inhibitors ABBOTT LABORATORIES (US) 2008-12-09 US disclosed
CN-101309908-A Substituted 1h-benzimidazole-4-carboxamides are potent parp inhibitors ABBOTT LAB (US) 2008-11-19 CN disclosed
EP-1966157-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS Abbott Laboratories (US) 2008-09-10 EP disclosed
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-11-22 US disclosed
WO-2007131016-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-11-15 WO disclosed
US-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES 2007-11-08 US disclosed
WO-2007059230-A2 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBOTT LABORATORIES (US) 2007-05-24 WO disclosed
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS ABBVIE INC. 2007-05-17 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 (4 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-20070259937-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 323/4885TP53 895/4885TSHR 4714/4885
US-20070112047-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 239/4885TP53 669/4885TSHR 4684/4885
US-20070270476-A1 SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS PARP1, PARP2, PARP4 ALDH1A1 239/4885TP53 669/4885TSHR 4684/4885
US-20160346271-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A ALDH1A1 690/4885TP53 4632/4885TSHR 98/4885

“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.