SCHEMBL1464727

SCHEMBL1464727

COc1ccccc1-c1nc2ccccc2c(=O)n1CCN1CCOCC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
TSHR P16473 1/20 0.69
GAA P10253 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ABCC1 P33527 8/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CLK4 Q9HAZ1 2/20 0.57
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL5800196 0.81 CASR (0.69) ALDH1A1SMN1; SMN2TSHRGAAMEN1
SCHEMBL1462922 0.77 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRGAAMEN1
SCHEMBL5928860 0.73 SMN1; SMN2 (0.70) SMN1; SMN2TSHRMEN1KMT2ACYP1A2
SCHEMBL1464668 0.73 PTPN1 (0.49) ALDH1A1
SCHEMBL5780401 0.72 CASR (0.69) ALDH1A1SMN1; SMN2TSHRABCC1CYP1A2
SCHEMBL28207160 0.72 KMT2A (0.55) ALDH1A1SMN1; SMN2TSHRGAAMEN1
SCHEMBL1463678 0.71 MEN1 (0.59) ALDH1A1SMN1; SMN2TSHRGAAMEN1
SCHEMBL1463935 0.71 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TSHRGAAMEN1
SCHEMBL874609 0.71 ADRA1B (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1326596 0.70 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRGAAMEN1

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 1 patent. 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

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.