SCHEMBL5584583

SCHEMBL5584583

Cc1cnc(-c2cc3c(OC[C@@H]4CO4)cccc3s2)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
HTR1A P08908 12/20 0.34
PTPN1 P18031 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
VDR P11473 1/20 0.31
SLC6A4 P31645 3/20 0.31
F9 P00740 1/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 1/20 0.31
PIM1 P11309 1/20 0.31
CDK2 P24941 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31

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
SCHEMBL5584827 0.85 ALDH1A1 (0.44) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5585075 0.82 ALDH1A1 (0.43) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5584409 0.78 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5585138 0.74 CA2 (0.39) SMN1; SMN2
SCHEMBL5585190 0.73 ALDH1A1 (0.46) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL9538716 0.70 ALDH1A1 (0.49) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5432111 0.70 ALDH1A1 (0.56) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL6317536 0.70 ALDH1A1 (0.56) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5584205 0.69 HDAC3 (0.45) ALDH1A1GLATP53CYP3A4TSHR
SCHEMBL5423194 0.68 ALDH1A1 (0.54) ALDH1A1GLATP53CYP3A4TSHR

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.