SCHEMBL867235

SCHEMBL867235

Cc1ccc(C2CO2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.43
MCOLN3 Q8TDD5 2/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 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
SCHEMBL12609542 0.87 MAPT (0.51) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL12609544 0.87 MAPT (0.51) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL177098 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4KMT2AGAALMNA
SCHEMBL177099 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4KMT2AGAALMNA
SCHEMBL176916 0.80 LMNA (0.48) ALDH1A1RECQLKMT2AGAALMNA
SCHEMBL176917 0.80 LMNA (0.48) ALDH1A1RECQLKMT2AGAALMNA
SCHEMBL27491169 0.80 DRD2 (0.47)
SCHEMBL17913158 0.79 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL14183096 0.78 GAA (0.50) ALDH1A1TSHRCYP3A4RECQLKMT2A
SCHEMBL16503717 0.76 TUBB4A (0.43) ALDH1A1TSHRRECQLKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040559-B2 BETA2-adrenoceptor agonists NOVARTIS AG (CH) 2015-05-26 US disclosed
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2014-11-20 US disclosed
US-8796307-B2 Beta2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-08-05 US disclosed
US-20140066478-A1 Beta2-Adrenoreceptor Agonists NOVARTIS AG (CH) 2014-03-06 US disclosed
US-8658673-B2 BETA2-adrenoreceptor agonists NOVARTIS AG (CH) 2014-02-25 US disclosed
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS NOVARTIS AG (CH) 2013-09-05 US disclosed
US-8436017-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2332915-B1 Beta2-adrenoceptor agonists NOVARTIS AG (CH) 2013-02-27 EP disclosed
US-20120302531-A1 beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-11-29 US disclosed
US-8304443-B2 Indazole derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2012-11-06 US disclosed
US-7820694-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20100160256-A1 INDAZOLE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-24 US disclosed
US-20100152265-A1 INDAZOLE DERIVATIVES ASAHI KASEI PHARMA CORPORATION (JP) 2010-06-17 US disclosed
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis CUENOUD BERNARD 2010-02-04 US disclosed
US-7622483-B2 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2009-11-24 US disclosed
EP-1183240-B1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis NOVARTIS AG (CH) 2005-07-14 US disclosed
US-6878721-B1 N-(partially hydrogenated fused carbocycle)-2-arylethylamine derivatives, e.g., 8-hydroxy-5-(1-hydroxy-2-(indan-2-ylamino)-ethyl)-1H-quinolin-2-one; treatment of obstructive or inflammatory NOVARTIS AG (CH) 2005-04-12 US disclosed
EP-1183240-A1 BETA2-ADRENOCEPTOR AGONISTS Novartis AG (CH) 2002-03-06 EP disclosed
WO-2000075114-A1 BETA2-ADRENOCEPTOR AGONISTS NOVARTIS AG (CH) 2000-12-14 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 (8 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-20140066478-A1 Beta2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ALDH1A1 2969/4885TSHR 273/4885CYP3A4 1841/4885
US-20140343091-A1 BETA2-ADRENOCEPTOR AGONISTS ADRB2, ADRB1, ADRA2A ALDH1A1 3219/4885TSHR 307/4885CYP3A4 1303/4885
US-20100152265-A1 INDAZOLE DERIVATIVES ADRB3, INSR, ADRB1 ALDH1A1 160/4885TSHR 426/4885CYP3A4 474/4885
US-20050153957-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 ALDH1A1 3520/4885TSHR 395/4885CYP3A4 1105/4885
US-20100029705-A1 Administering an aminoindanyl derivative and; a steroid, dopamine receptor agonist or an anticholinergic or antimuscarinic agent; respiratory system disorders, antiallergens, chronic obstructive pulmonary disease, adult respiratory distress syndrome, bronchitis ADRB3, ADRB2, ADRB1 ALDH1A1 3520/4885TSHR 395/4885CYP3A4 1105/4885
US-20130231367-A1 BETA2-ADRENORECEPTOR AGONISTS ADRB2, ADRB1, ADRB3 ALDH1A1 3071/4885TSHR 246/4885CYP3A4 1969/4885
US-20120302531-A1 beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 ALDH1A1 2766/4885TSHR 251/4885CYP3A4 1736/4885
US-20100160256-A1 INDAZOLE COMPOUNDS GPR119, ADRB1, ADRA1A ALDH1A1 131/4885TSHR 237/4885CYP3A4 281/4885

“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.