SCHEMBL5388097

SCHEMBL5388097

O=C(NC(=S)NC[C@H]1CC[C@H](N(Cc2ccccc2)C(=O)O)CC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MITF O75030 1/20 0.52
ALOX12 P18054 5/20 0.51
GLA P06280 2/20 0.51
ACHE P22303 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
CXCR3 P49682 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL1594516 1.00 ALDH1A1 (0.52) ALDH1A1MITFALOX12GLAACHE
SCHEMBL2584410 0.85 ALDH1A1 (0.65) ALDH1A1MITFALOX12GLASMN1; SMN2
SCHEMBL5123336 0.82 PTGES (0.47) ALDH1A1ALOX12MEN1KMT2AKDM4E
SCHEMBL1593852 0.82 PTGES (0.47) ALDH1A1ALOX12MEN1KMT2AKDM4E
SCHEMBL7474517 0.79 RAB9A (0.65) ALDH1A1MITFALOX12GLAACHE
SCHEMBL5123025 0.77 NPC1 (0.60) ALDH1A1MITFALOX12GLASMN1; SMN2
SCHEMBL5121035 0.77 ALDH1A1 (0.48) ALDH1A1MITFALOX12GLAACHE
SCHEMBL7481039 0.76 RAB9A (0.58) ALDH1A1MITFALOX12GLAACHE
SCHEMBL3370759 0.75 AGER (0.55) MEN1KMT2ALMNA
SCHEMBL5392388 0.75 ALDH1A1 (0.51) ALDH1A1MITFALOX12GLAACHE

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-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
US-6214853-B1 DIETETICS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-10 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 ALDH1A1 4658/4885MITF 951/4885ALOX12 2367/4885

“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.