SCHEMBL6691209

SCHEMBL6691209

C=CCOC(=O)C1CCC(c2nc(Cl)c3c(n2)sc2ccccc23)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MAPT P10636 4/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 2/20 0.33
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ELANE P08246 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL6684234 0.90 MAPT (0.35) KDM4EL3MBTL1MAPTKMT2AMEN1
SCHEMBL6743866 0.84 MAPK1 (0.38) KDM4EL3MBTL1EGLN1KMT2AMEN1
SCHEMBL6657678 0.82 EGLN1 (0.39) KDM4EL3MBTL1EGLN1MAPTKMT2A
SCHEMBL6763192 0.76 TSHR (0.44) KDM4EL3MBTL1EGLN1MAPTKMT2A
SCHEMBL6766837 0.73 MAPK1 (0.38) KDM4EL3MBTL1MAPTKMT2AMEN1
SCHEMBL6654617 0.70 NPC1 (0.38) KDM4EL3MBTL1EGLN1MAPTKMT2A
SCHEMBL12903928 0.68 ELANE (0.36) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL6764725 0.68 PDE10A (0.37) ALDH1A1SMN1; SMN2
SCHEMBL6859716 0.67 ESR1 (0.41) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL6760546 0.67 PDE5A (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280792-B1 METHOD FOR PRODUCING BENZO ANNELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2004-07-14 EP claimed
US-6723848-B2 TETRAHYDROBENZOFURAN OR TETRAHYDROBENZOTHIOPHEN OR TETRAHDYROBENZOPYRROLE COMPOUNDS CAN BE AROMATIZED WITH A HYDROGENATION CATALYST IN PRESENCE OF A HYDROGEN ACCEPTOR, DEACYLATION OF AMINO GROUP BY ADDITION OF AN AMINE GROUP MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-04-20 US claimed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 US claimed
US-6723848-B2 TETRAHYDROBENZOFURAN OR TETRAHYDROBENZOTHIOPHEN OR TETRAHDYROBENZOPYRROLE COMPOUNDS CAN BE AROMATIZED WITH A HYDROGENATION CATALYST IN PRESENCE OF A HYDROGEN ACCEPTOR, DEACYLATION OF AMINO GROUP BY ADDITION OF AN AMINE GROUP MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2004-04-20 US disclosed
US-20030078422-A1 Method for producing benzo annelated heterocycles MERCK PATENT GMBH (DE) 2003-04-24 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-20030078422-A1 Method for producing benzo annelated heterocycles NAT1, AFF1, SAT1 KDM4E 675/4885L3MBTL1 3073/4885EGLN1 788/4885

“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.