SCHEMBL4599397

SCHEMBL4599397

COc1cccc(OCc2ccccc2)c1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.60
MRGPRX4 Q96LA9 2/20 0.59
ATM Q13315 1/20 0.58
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SMPD1 P17405 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL5743109 0.92 FOLH1 (0.57) RXRAMRGPRX4ATMMAPTMAPK1
SCHEMBL6451155 0.86 RXRA (0.57) RXRAMRGPRX4ATMMAPTKDM4E
SCHEMBL15709508 0.85 RXRA (0.54) RXRAMRGPRX4ATMMAPTKDM4E
SCHEMBL4600081 0.85 RXRA (0.54) RXRAMRGPRX4ATMMAPTKDM4E
SCHEMBL2580651 0.84 KMT2A (0.56) RXRAMRGPRX4ATMMAPTNPC1
SCHEMBL6358665 0.83 MAOB (0.56) RXRAMRGPRX4MAPTHTR1AADRA1D
SCHEMBL11464594 0.83 FOLH1 (0.52) RXRAMRGPRX4ATMMAPTMAPK1
SCHEMBL2387474 0.82 NPC1 (0.56) RXRAMRGPRX4MAPTHTR1ANPC1
SCHEMBL1030218 0.82 CA12 (0.65) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL4696202 0.81 MAPK1 (0.55) KDM4EALDH1A1MAPK1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
US-7138527-B2 Inflammatory, allergic and respiratory disorders; beta 2 adrenoceptors agonists; such as 5-(-2-((-2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethyl)amino)propyl) -N-(2-methoxybenzyl)-1H-indole-2-carboxamide PFIZER INC. (US) 2006-11-21 US disclosed
CN-1723020-A Indole derivatives as beta-2 agonists PFIZER LTD (US) 2006-01-18 CN disclosed
EP-1556034-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2005-07-27 EP disclosed
US-20050085526-A1 Indole derivatives useful for the treatment of diseases BROWN ALAN D (GB) 2005-04-21 US disclosed
US-6844362-B2 Indole derivatives useful for the treatment of diseases PFIZER INC (US) 2005-01-18 US disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US disclosed
WO-2004032921-A1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2004-04-22 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-20050085526-A1 Indole derivatives useful for the treatment of diseases IDO1, IDO2, INMT RXRA 3284/4885MRGPRX4 359/4885ATM 2989/4885

“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.