SCHEMBL5492708

SCHEMBL5492708

CC(=O)c1ccc(OCc2ccccc2)c2c1OC(C)(C)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA9 Q16790 1/20 0.44
MAOB P27338 3/20 0.43
BRD4 O60885 2/20 0.39
PRKCA P17252 1/20 0.39
SGMS2 Q8NHU3 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FOLH1 Q04609 1/20 0.38
CREBBP Q92793 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL1558720 0.80 MAPT (0.50) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL631076 0.76 MAOB (0.48) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL12100970 0.72 MAPT (0.52) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL27770942 0.70 L3MBTL1 (0.46) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL30147524 0.69 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL26021326 0.69 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL18428699 0.69 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL9909633 0.69 SMN1; SMN2 (0.44) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL30468871 0.68 SGMS2 (0.67) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL71081 0.68 SGMS2 (0.67) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7307076-B2 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-11 US disclosed
EP-1789394-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-30 EP disclosed
US-20050277632-A1 Beta agonists for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 US disclosed
WO-2005110990-A1 HYDROXY-SUBSTITUTED BENZO-CONDENSED HETEROCYCLES FOR USE AS BETA AGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 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 (1 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-20050277632-A1 Beta agonists for the treatment of respiratory diseases ADRB1, ADRB2, ADRA1B MAPT 4113/4885CYP2C9 1356/4885CYP2C19 739/4885

“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.