SCHEMBL1463935

SCHEMBL1463935

O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1CCN1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
TSHR P16473 1/20 0.77
EGFR P00533 3/20 0.69
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
GAA P10253 1/20 0.58
ABCC1 P33527 5/20 0.51
AVPR1B P47901 4/20 0.49
CTDSP1 Q9GZU7 1/20 0.48
CASR P41180 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 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
SCHEMBL1462922 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1462758 0.83 MEN1 (0.59) ALDH1A1SMN1; SMN2TSHREGFRMEN1
SCHEMBL6314890 0.80 EGFR (0.86) ALDH1A1SMN1; SMN2EGFRGAACASR
SCHEMBL6314802 0.78 EGFR (0.83) ALDH1A1SMN1; SMN2EGFRCASR
SCHEMBL13602214 0.76 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL1464587 0.75 EGFR (0.67) ALDH1A1SMN1; SMN2EGFRMEN1KMT2A
SCHEMBL1463678 0.74 MEN1 (0.59) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL13602184 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL8011144 0.73 LMNA (0.71) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL6307813 0.72 EGFR (0.73) ALDH1A1SMN1; SMN2EGFRCASRKDM4E

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 7 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
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 ALDH1A1 412/4885SMN1; SMN2 4538/4885TSHR 321/4885

“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.