SCHEMBL1463802

SCHEMBL1463802

COc1ccc2c(=O)n(C)c(-c3cccnc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.59
CYP11B2 P19099 7/20 0.52
CYP11B1 P15538 6/20 0.52
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CYP17A1 P05093 4/20 0.50
CYP19A1 P11511 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
GABRA1 P14867 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
RAD51 Q06609 1/20 0.47
CYP3A4 P08684 2/20 0.47

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 0.86 KCNH2 (0.59) KCNH2HRH3KDM4EALDH1A1RAB9A
SCHEMBL1463084 0.85 KCNH2 (0.58) KCNH2HRH3ALDH1A1RAB9AGABRA1
SCHEMBL10175817 0.83 RAD51 (0.60) G6PDCYP11B2CYP11B1CYP17A1CYP19A1
SCHEMBL1463643 0.81 KCNH2 (0.52) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL1463588 0.81 KCNH2 (0.52) KCNH2HRH3KDM4EALDH1A1CYP3A4
SCHEMBL1463838 0.79 KCNH2 (0.60) KCNH2HRH3KDM4EALDH1A1CYP3A4
SCHEMBL1463978 0.79 KCNH2 (0.60) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL1463880 0.79 KCNH2 (0.60) KCNH2HRH3KDM4EALDH1A1RAB9A
SCHEMBL1462814 0.77 KCNH2 (0.60) KCNH2HRH3KDM4EALDH1A1HPGD
SCHEMBL1464928 0.76 CYP3A4 (0.56) KCNH2HRH3KDM4EALDH1A1HSD17B10

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 G6PD 342/4885CYP11B2 13/4885CYP11B1 14/4885

“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.