SCHEMBL6216763

SCHEMBL6216763

CCOC(=O)c1sc2nc(SCC)nc(-c3ccccc3)c2c1N

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.61
▸ ALDH1A1 P00352 8/20 0.61
▸ MAPT P10636 8/20 0.61
▸ GAA P10253 3/20 0.61
▸ MAPK1 P28482 2/20 0.61
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ HSD17B10 Q99714 3/20 0.56
▸ HPGD P15428 6/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ HTT P42858 1/20 0.53
▸ GLA P06280 1/20 0.52
▸ CASP1 P29466 1/20 0.52
▸ CASP7 P55210 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ LHCGR P22888 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CDC7 O00311 3/20 0.47
▸ DBF4 Q9UBU7 3/20 0.47

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) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6215057 0.91 ALDH1A1 (0.58) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6216192 0.91 ALDH1A1 (0.62) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6215667 0.89 KDM4E (0.56) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6217115 0.87 ALDH1A1 (0.54) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL3321340 0.86 KDM4E (0.67) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6215323 0.85 ALDH1A1 (0.66) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6215602 0.84 ABCB1 (0.53) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6220766 0.83 ALDH1A1 (0.64) KDM4EALDH1A1MAPTGAAMAPK1
SCHEMBL6214865 0.83 LHCGR (0.60) KDM4EALDH1A1MAPTGAAMAPK1

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 2123/4885ALDH1A1 757/4885MAPT 4619/4885

“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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