SCHEMBL5584756

SCHEMBL5584756

Cc1nc(-c2cc3cccc(OC[C@@H]4CO4)c3o2)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
GLA P06280 1/20 0.46
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM4E B2RXH2 3/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35

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
SCHEMBL5584392 0.83 ALDH1A1 (0.45) ALDH1A1GLATP53SMN1; SMN2L3MBTL1
SCHEMBL5584281 0.80 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2L3MBTL1KDM4E
SCHEMBL5585190 0.80 ALDH1A1 (0.46) ALDH1A1GLATP53SMN1; SMN2CYP3A4
SCHEMBL7389081 0.78 ALDH1A1 (0.56) ALDH1A1GLATP53SMN1; SMN2L3MBTL1
SCHEMBL7389079 0.74 TP53 (0.56) ALDH1A1TP53SMN1; SMN2L3MBTL1CYP3A4
SCHEMBL5585039 0.73 L3MBTL1 (0.50) L3MBTL1F2RL3
SCHEMBL5584751 0.73 ADCY8 (0.39) ALDH1A1GLATP53SMN1; SMN2CYP3A4
SCHEMBL10510439 0.72 ALDH1A1 (0.48) ALDH1A1GLATP53SMN1; SMN2CYP3A4
SCHEMBL10507161 0.72 ALDH1A1 (0.47) ALDH1A1GLATP53SMN1; SMN2CYP3A4
SCHEMBL9589246 0.71 LMNA (0.61) ALDH1A1GLATP53SMN1; SMN2CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
US-7196199-B2 Antiserotonine agents; antidepressants MITSUBISHI PHARMA CORPORATION (JP) 2007-03-27 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP 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 (2 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-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885TP53 3781/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885TP53 3781/4885

“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.