SCHEMBL1463084

SCHEMBL1463084

COc1ccc2c(=O)n(C)c(-c3ccncc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.58
HRH3 Q9Y5N1 2/20 0.58
CYP3A4 P08684 2/20 0.50
ADRA1A P35348 1/20 0.47
IDO1 P14902 1/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
TEK Q02763 2/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
COMT P21964 1/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GABRA1 P14867 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45

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
SCHEMBL1463663 0.88 KCNH2 (0.59) KCNH2HRH3CYP3A4ADRA1AALDH1A1
SCHEMBL1463978 0.86 KCNH2 (0.60) KCNH2HRH3CYP3A4ADRA1AALDH1A1
SCHEMBL1463880 0.86 KCNH2 (0.60) KCNH2HRH3CYP3A4ADRA1AALDH1A1
SCHEMBL1463838 0.86 KCNH2 (0.60) KCNH2HRH3CYP3A4ADRA1AALDH1A1
SCHEMBL1463802 0.85 G6PD (0.59) KCNH2HRH3CYP3A4IDO1ALDH1A1
SCHEMBL10175820 0.81 MEN1 (0.59) ALDH1A1TEKPDGFRBPDGFRAPOLB
SCHEMBL1464928 0.80 CYP3A4 (0.56) KCNH2HRH3CYP3A4ALDH1A1CYP1A2
SCHEMBL1463643 0.80 KCNH2 (0.52) KCNH2HRH3CYP3A4ADRA1AALDH1A1
SCHEMBL1463588 0.80 KCNH2 (0.52) KCNH2HRH3CYP3A4ALDH1A1CYP1A2
SCHEMBL1462814 0.78 KCNH2 (0.60) KCNH2HRH3ADRA1AALDH1A1ADRB1

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-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-24 US claimed
US-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF GUANGZHOU INSTITUTE OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2011-03-24 US disclosed
EP-2266962-A1 THE COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF Guangzhou Institute Of Biomedicine And Health, Chinese Academy Of Sciences (CN) 2010-12-29 EP disclosed
CN-101531638-A Compounds useful as estrogen-related receptor modulators and uses thereof CHINESE ACADEMY OF SCIENCES GU 2009-09-16 CN 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-20110071148-A1 COMPOUNDS AS THE ESTROGEN RELATED RECEPTORS MODULATORS AND THE USES THEREOF ESRRA, ESRRB, ESRRG KCNH2 4431/4885HRH3 2531/4885CYP3A4 142/4885

“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.