SCHEMBL4476253

SCHEMBL4476253

CC(=O)c1cc(OCc2ccccc2)ccc1NC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.66
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 2/20 0.53
MAPT P10636 1/20 0.53
GPR55 Q9Y2T6 2/20 0.52
CASP3 P42574 2/20 0.52
SENP8 Q96LD8 2/20 0.52
SENP7 Q9BQF6 2/20 0.52
SENP6 Q9GZR1 2/20 0.52
MAOA P21397 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
KDM4E B2RXH2 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.49

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
SCHEMBL22762667 0.83 KDM4E (0.60) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15876017 0.82 NPC1 (0.56) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL560607 0.81 MAOB (0.81) MAOBSMN1; SMN2MAPTCASP3SENP8
SCHEMBL2785214 0.81 MAOB (0.71) MAOBSMN1; SMN2MAPTMAOA
SCHEMBL588979 0.81 MAOB (0.76) MAOBSMN1; SMN2ALDH1A1MAPTCASP3
SCHEMBL4895612 0.81 BRD4 (0.57) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL23526243 0.81 MAOB (0.70) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11829865 0.81 BRD4 (0.59) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5801964 0.80 MAOB (0.69) MAOBPKMCASP3SENP8SENP7
SCHEMBL20234843 0.80 MAOB (0.74) MAOBSMN1; SMN2MAPTCASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632834-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-15 US disclosed
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOUYSSOU THIERRY 2008-08-14 US disclosed
US-7375104-B2 Long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-20 US disclosed
US-20070066609-A1 Long acting beta-2-agonists and their use as medicaments BOUYSSOU THIERRY 2007-03-22 US disclosed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US disclosed
US-7160882-B2 Long acting β-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-09 US disclosed
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-13 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-20070066609-A1 Long acting beta-2-agonists and their use as medicaments ADRB2, ADRB1, CHRM1 MAOB 1296/4885NPC1 809/4885RAB9A 2370/4885
US-20050227975-A1 New long acting beta-2-agonists and their use as medicaments ADRB2, ADRA2A, ADRB1 MAOB 1193/4885NPC1 2708/4885RAB9A 1751/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 MAOB 1158/4885NPC1 2146/4885RAB9A 2254/4885
US-20080194550-A1 LONG ACTING BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS ADRB2, ADRB1, CHRM1 MAOB 1288/4885NPC1 812/4885RAB9A 2404/4885

“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.