SCHEMBL5584816

SCHEMBL5584816

c1ccc(-c2nnc(-c3cc4c(OC[C@@H]5CO5)cccc4o3)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
GLA P06280 1/20 0.42
PTPN1 P18031 1/20 0.39
GUSB P08236 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 10/20 0.38
TSHR P16473 6/20 0.38
TP53 P04637 5/20 0.38
CYP3A4 P08684 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 6/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 11/20 0.38
RAB9A P51151 10/20 0.38
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 5/20 0.37
MECP2 P51608 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL5584474 0.85 ALDH1A1 (0.46) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5584429 0.85 ALDH1A1 (0.46) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5585155 0.83 ALDH1A1 (0.41) ALDH1A1GLAPTPN1SMN1; SMN2TSHR
SCHEMBL5584628 0.83 ALDH1A1 (0.41) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5585064 0.83 ALDH1A1 (0.39) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5584445 0.83 ALDH1A1 (0.40) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5585107 0.83 ALDH1A1 (0.40) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5584403 0.83 ALDH1A1 (0.40) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5584767 0.83 ALDH1A1 (0.40) ALDH1A1GLAPTPN1TDP1SMN1; SMN2
SCHEMBL5584540 0.83 ALDH1A1 (0.40) ALDH1A1GLAPTPN1TDP1SMN1; SMN2

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-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 3730/4885PTPN1 854/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A ALDH1A1 443/4885GLA 3730/4885PTPN1 854/4885

“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.