SCHEMBL1463643

SCHEMBL1463643

COc1ccc2c(=O)n(C)c(-c3cccc(F)c3)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
HRH3 Q9Y5N1 3/20 0.52
CYP3A4 P08684 3/20 0.47
TP53 P04637 1/20 0.46
KCNA5 P22460 1/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
TRPV4 Q9HBA0 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ADRA1A P35348 2/20 0.42

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
SCHEMBL1463978 0.86 KCNH2 (0.60) KCNH2HRH3CYP3A4ALDH1A1KDM4E
SCHEMBL1463663 0.86 KCNH2 (0.59) KCNH2HRH3CYP3A4KCNA5ALDH1A1
SCHEMBL1463588 0.86 KCNH2 (0.52) KCNH2HRH3CYP3A4ALDH1A1KDM4E
SCHEMBL1463802 0.81 G6PD (0.59) KCNH2HRH3CYP3A4ALDH1A1KDM4E
SCHEMBL1463084 0.80 KCNH2 (0.58) KCNH2HRH3CYP3A4ALDH1A1CYP1A2
SCHEMBL1463838 0.79 KCNH2 (0.60) KCNH2HRH3CYP3A4ALDH1A1KDM4E
SCHEMBL1463880 0.79 KCNH2 (0.60) KCNH2HRH3CYP3A4ALDH1A1KDM4E
SCHEMBL1462814 0.77 KCNH2 (0.60) KCNH2HRH3KCNA5ALDH1A1KDM4E
SCHEMBL1463739 0.77 CYP1A2 (0.49) KCNH2HRH3CYP3A4TP53ALDH1A1
SCHEMBL1376904 0.77 KCNA5 (0.59) KCNH2TP53KCNA5ALDH1A1KDM4E

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.