SCHEMBL6214865

SCHEMBL6214865

CCOC(=O)c1sc2nc(SCc3ccccc3)nc(-c3cccc(OC)c3)c2c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 5/20 0.60
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 7/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ MAPT P10636 6/20 0.54
▸ GAA P10253 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ BRAF P15056 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ HPGD P15428 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ GLA P06280 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
SCHEMBL6218802 0.91 ALDH1A1 (0.58) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6218455 0.88 LHCGR (0.62) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL4327613 0.88 LHCGR (0.77) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6217115 0.85 ALDH1A1 (0.54) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6214088 0.85 MAPT (0.60) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6217584 0.84 ALDH1A1 (0.51) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6217895 0.84 ALDH1A1 (0.50) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6220445 0.83 LHCGR (0.65) LHCGRTSHRALDH1A1KDM4EMAPT
SCHEMBL6216763 0.83 KDM4E (0.61) LHCGRALDH1A1KDM4EMAPTGAA
SCHEMBL6215057 0.80 ALDH1A1 (0.58) LHCGRALDH1A1KDM4EMAPTGAA

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 176/4885ALDH1A1 757/4885

“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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