SCHEMBL6218708

SCHEMBL6218708

CCCCCSc1nc(-c2ccsc2)c2c(N)c(C(=O)OCC)sc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.45
▸ MAPT P10636 9/20 0.45
▸ HPGD P15428 7/20 0.45
▸ ALDH1A1 P00352 6/20 0.45
▸ GAA P10253 5/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ GLA P06280 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DBF4 Q9UBU7 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ POLB P06746 3/20 0.44
▸ RCE1 Q9Y256 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL6215667 0.88 KDM4E (0.56) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6216737 0.87 LHCGR (0.52) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6217881 0.85 KDM4E (0.45) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6217584 0.85 ALDH1A1 (0.51) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6219435 0.79 CDC7 (0.49) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6218864 0.79 KDM4E (0.58) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6216763 0.77 KDM4E (0.61) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6216251 0.76 KDM4E (0.49) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6216167 0.76 ABCB1 (0.51) KDM4EMAPTHPGDALDH1A1GAA
SCHEMBL6217590 0.75 LHCGR (0.53) KDM4EMAPTHPGDALDH1A1GAA

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 KDM4E 2123/4885MAPT 4619/4885HPGD 1313/4885

“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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