SCHEMBL6217543

SCHEMBL6217543

CCCCOc1cccc(-c2nc(C)nc3sc(C(=S)OCC)c(N)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 6/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
LHCGR P22888 3/20 0.41
BRAF P15056 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
TSHR P16473 1/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 3/20 0.40
MAPK1 P28482 1/20 0.40
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6217503 0.92 BRAF (0.42) SMN1; SMN2KDM4EL3MBTL1GLALHCGR
SCHEMBL4432076 0.89 LHCGR (0.50) SMN1; SMN2KDM4EL3MBTL1GLANPC1
SCHEMBL6217044 0.89 LHCGR (0.42) SMN1; SMN2KDM4EL3MBTL1GLALHCGR
SCHEMBL5025998 0.85 BRAF (0.46) SMN1; SMN2KDM4EL3MBTL1GLANPC1
SCHEMBL6214384 0.84 MAPT (0.38) SMN1; SMN2KDM4EL3MBTL1NPC1RAB9A
SCHEMBL6216809 0.84 MAPT (0.43) SMN1; SMN2KDM4EL3MBTL1GLANPC1
SCHEMBL6216687 0.83 ALDH1A1 (0.50) SMN1; SMN2KDM4EL3MBTL1GLANPC1
SCHEMBL6214501 0.81 MAPT (0.49) SMN1; SMN2KDM4EMAPTALDH1A1GAA
SCHEMBL4427614 0.80 MAPT (0.48) SMN1; SMN2KDM4EL3MBTL1GLANPC1
SCHEMBL6217536 0.79 LHCGR (0.63) SMN1; SMN2KDM4EL3MBTL1GLANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 US 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR SMN1; SMN2 4821/4885KDM4E 2123/4885L3MBTL1 3531/4885

“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.