SCHEMBL3834709

SCHEMBL3834709

CCCCOc1ccc(CCNCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.70
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
DRD4 P21917 2/20 0.61
GAA P10253 2/20 0.59
ATM Q13315 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAPT P10636 1/20 0.59
SIGMAR1 Q99720 1/20 0.57
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL3837910 0.89 BCHE (0.72) BCHEMEN1KMT2ADRD4GAA
SCHEMBL10897808 0.88 DRD4 (0.71) BCHEMEN1KMT2ADRD4GAA
SCHEMBL3835443 0.87 BCHE (0.63) BCHEDRD4KDM4E
SCHEMBL11508349 0.86 BCHE (0.63) BCHEMEN1KMT2ADRD4GAA
SCHEMBL14058827 0.84 S1PR2 (0.65) BCHEDRD4LMNA
SCHEMBL11289148 0.84 LTA4H (0.66) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2587466 0.83 BCHE (1.00) BCHEMEN1KMT2A
SCHEMBL3833711 0.82 GAA (0.74) BCHEMEN1KMT2AGAAATM
SCHEMBL17706591 0.82 SIGMAR1 (0.61) MEN1KMT2ADRD4GAANPC1
SCHEMBL21153207 0.82 BCHE (0.70) BCHEMEN1KMT2ADRD4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150065490-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
EP-1529038-B1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2009-10-07 EP disclosed
US-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity CUENOUD BERNARD 2007-10-25 US disclosed
CN-1301980-C Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2007-02-28 CN disclosed
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2006-05-18 US disclosed
CN-1701064-A Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2005-11-23 CN disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 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 (3 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-20070249586-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C BCHE 2672/4885MEN1 3455/4885KMT2A 2661/4885
US-20060106075-A1 Benzothiazole derivatives having beta-2-adrenoreceptor agonist activity ADRB2, ADRB1, ADRA2C BCHE 2672/4885MEN1 3455/4885KMT2A 2661/4885
US-20150065490-A1 ORGANIC COMPOUNDS ADRB2, ADRA2C, ADRB1 BCHE 3245/4885MEN1 1714/4885KMT2A 3108/4885

“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.