SCHEMBL5158714

SCHEMBL5158714

O=C(CC(F)Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
ALDH1A1 P00352 5/20 0.54
MAPK1 P28482 3/20 0.54
GSK3B P49841 2/20 0.54
TRPA1 O75762 1/20 0.54
HIF1A Q16665 1/20 0.54
KMT2A Q03164 5/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 1/20 0.49
PTPN1 P18031 2/20 0.48
L3MBTL1 Q9Y468 6/20 0.47
LMNA P02545 4/20 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
SCHEMBL2255355 0.83 TSHR (0.63) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL633284 0.83 TSHR (0.63) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL5990135 0.81 TSHR (0.61) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL7436608 0.80 TSHR (0.55) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL8187567 0.80 ALDH1A1 (0.55) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL6765742 0.80 TDP1 (0.53) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL9017506 0.79 TSHR (0.64) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL5552472 0.79 TSHR (0.64) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL5197853 0.79 TSHR (0.59) TSHRALDH1A1MAPK1GSK3BTRPA1
SCHEMBL8898345 0.79 TSHR (0.59) TSHRALDH1A1MAPK1GSK3BTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP disclosed
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 WO 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-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B TSHR 1030/4885ALDH1A1 2425/4885MAPK1 3766/4885

“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.