SCHEMBL6218039

SCHEMBL6218039

COc1ccc(OC(=O)c2sc3nc(SC)nc(-c4ccccc4)c3c2N)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 7/20 0.64
▸ TSHR P16473 2/20 0.58
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ LIMK1 P53667 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ABCC1 P33527 2/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ MTOR P42345 1/20 0.44
▸ BRAF P15056 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41

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
SCHEMBL6220615 0.92 LHCGR (0.61) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6217511 0.89 LHCGR (0.65) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6215181 0.88 LHCGR (0.72) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6218875 0.88 LHCGR (0.66) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6216337 0.86 LHCGR (0.60) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6216728 0.85 LHCGR (0.65) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6216808 0.83 LHCGR (0.64) LHCGRTSHRKDM4EALDH1A1MAPT
SCHEMBL6216358 0.80 LHCGR (0.63) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL4419261 0.80 LHCGR (0.77) LHCGRTSHRKDM4EALDH1A1LIMK1
SCHEMBL6217388 0.79 LHCGR (0.59) LHCGRTSHRALDH1A1LIMK1MAPT

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 LHCGR 1/4885TSHR 176/4885KDM4E 2123/4885

“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.

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