SCHEMBL1463678

SCHEMBL1463678

COc1ccc2c(=O)n(CCN3CCOCC3)c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
AVPR1B P47901 5/20 0.51
CNR2 P34972 3/20 0.50
MAPT P10636 1/20 0.50
PDE5A O76074 1/20 0.50
GAA P10253 1/20 0.48
MOK Q9UQ07 2/20 0.47
ABCC1 P33527 1/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL1462758 0.90 MEN1 (0.59) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1462922 0.90 ALDH1A1 (0.72) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1463978 0.79 KCNH2 (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL1463935 0.74 ALDH1A1 (0.77) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL6142233 0.74 KCNH2 (0.64) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1464668 0.74 PTPN1 (0.49) ALDH1A1AVPR1BKDM4ELMNA
SCHEMBL1464727 0.71 ALDH1A1 (0.69) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL2004698 0.70 HRH3 (0.76)
SCHEMBL1463771 0.69 KCNH2 (0.60) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL16123514 0.69 DYRK1A (0.50) ALDH1A1TSHRCNR2CYP1A2

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 6 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
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
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 MEN1 4103/4885KMT2A 1845/4885ALDH1A1 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.