SCHEMBL5389735

SCHEMBL5389735

NC(=S)Nc1ccc(CNC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TYR P14679 1/20 0.50
TAS2R38 P59533 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 4/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTPN1 P18031 1/20 0.47
POLB P06746 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL7688793 0.85 PTPN1 (0.54) NPC1ALDH1A1HPGDRAB9AKMT2A
SCHEMBL17979590 0.83 NPC1 (0.59) NPC1TSHRTP53CYP2D6CYP2C9
SCHEMBL6681065 0.83 HDAC6 (0.59) ALDH1A1TSHRTP53TYRTAS2R38
SCHEMBL7446619 0.83 NPC1 (0.51) NPC1TSHRTP53CYP2D6CYP2C9
SCHEMBL3896605 0.81 MAOB (0.67) NPC1ALDH1A1TP53TAS2R38HSD17B10
SCHEMBL15669351 0.79 CYP1A2 (0.54) NPC1TSHRTP53CYP2D6CYP2C9
SCHEMBL12070405 0.79 ALDH1A1 (0.64) NPC1ALDH1A1TSHRTP53CYP2D6
SCHEMBL11533429 0.79 CYP2C9 (0.65) NPC1ALDH1A1TSHRTP53CYP2D6
SCHEMBL27139928 0.79 CYP2C9 (0.53) ALDH1A1TSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2932295 0.79 PTPN1 (0.73) NPC1ALDH1A1TSHRTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273880-B2 Selective NPY (Y5) antagonists H. LUNBECK A/S (DK) 2007-09-25 US disclosed
EP-1194421-B1 SELECTIVE NPY (Y5) ANTAGONISTS LUNDBECK & CO AS H (DK) 2005-10-12 EP disclosed
US-20050137240-A1 Selective NPY (Y5) antagonists H. LUNDBECK A/S (DK) 2005-06-23 US disclosed
EP-1194421-A4 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2002-09-11 EP disclosed
EP-1194421-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-04-10 EP disclosed
US-6225330-B1 Selective NPY (Y5) antagonists (tricyclics) SYNAPTIC PHARMACEUTICAL CORPORATION 2001-05-01 US disclosed
WO-2001002379-A1 SELECTIVE NPY (Y5) ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-01-11 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-20050137240-A1 Selective NPY (Y5) antagonists NPY5R, NPY1R, NPY2R NPC1 1760/4885ALDH1A1 4658/4885TSHR 155/4885

“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.