SCHEMBL1639159

SCHEMBL1639159

c1ccc(O[N]c2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
MAOB P27338 2/20 0.48
ADRA2A P08913 4/20 0.44
ADRA2B P18089 4/20 0.44
ADRA2C P18825 4/20 0.44
PLAU P00749 1/20 0.44
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL28750827 0.80 MAOA (0.55) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL856435 0.74
Benzene SCHEMBL10803509 0.72 MAOA (0.82) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL11456454 0.70
SCHEMBL1852788 0.70
SCHEMBL275526 0.69 MAOA (0.77) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL2470956 0.69 MAOA (0.77) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL29785641 0.69 MAOA (0.77) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL718626 0.69 ADRA2A (0.56) MAOAMAOBADRA2AADRA2BADRA2C
SCHEMBL2638472 0.67 LTA4H (0.43) MAOAPLAUALDH1A1MAPTNOS3

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-8541521-B2 Catalyst compounds and use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-09-24 US disclosed
EP-2493933-A2 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2012-09-05 EP disclosed
WO-2011056424-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO disclosed
US-20110098427-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US disclosed
EP-2231715-A1 CATALYST COMPOUNDS AND USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2010-09-29 EP disclosed
US-7767773-B2 Catalyst compounds are use thereof EXXONMOBILE CHEMICAL PATENTS INC. (US) 2010-08-03 US disclosed
WO-2009082556-A1 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-07-02 WO disclosed
US-20080182952-A1 Catalyst Compounds And Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2008-07-31 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 (2 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-20080182952-A1 Catalyst Compounds And Use Thereof HACL2, AHCYL1, CRKL MAOA 4492/4885MAOB 3828/4885ADRA2A 3947/4885
US-20110098427-A1 Catalyst Compounds And Use Thereof THEM6, OPRM1, NOTUM MAOA 1676/4885MAOB 2339/4885ADRA2A 3980/4885

“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.