SCHEMBL1463663

SCHEMBL1463663

COc1ccc2c(=O)n(C)c(-c3ccccc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.59
HRH3 Q9Y5N1 6/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 2/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADRA1A P35348 5/20 0.51
CYP3A4 P08684 1/20 0.51
EGFR P00533 2/20 0.51
KCNA5 P22460 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR1A P08908 1/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50

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
SCHEMBL1462814 0.90 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1463084 0.88 KCNH2 (0.58) KCNH2HRH3ALDH1A1CYP1A2POLB
SCHEMBL1463880 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463978 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463838 0.87 KCNH2 (0.60) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463802 0.86 G6PD (0.59) KCNH2HRH3ALDH1A1KDM4ERAB9A
SCHEMBL1463588 0.86 KCNH2 (0.52) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1463643 0.86 KCNH2 (0.52) KCNH2HRH3ALDH1A1KDM4ESMN1; SMN2
SCHEMBL31276974 0.86 CYP1A2 (0.73) KCNH2HRH3ALDH1A1KDM4ECYP1A2
SCHEMBL1463803 0.86 KCNH2 (0.48) KCNH2HRH3ALDH1A1SMN1; SMN2CYP1A2

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 5 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 disclosed
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
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 2531/4885ALDH1A1 412/4885

“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.