SCHEMBL6982790

SCHEMBL6982790

COCCN(C)C(=O)c1sc(C(CC2CCN(C(=O)OCc3ccccc3)CC2)c2cnc[nH]2)nc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
ENPP2 Q13822 3/20 0.37
GRIN2B Q13224 9/20 0.37
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 4/20 0.35
CYP3A4 P08684 3/20 0.35
KCNH2 Q12809 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
PGGT1B P53609 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL6982814 0.88 GRIN2B (0.40) HTR2CENPP2GRIN2BCYP2D6CYP2C9
SCHEMBL6978464 0.84 FNTA (0.38) HTR2CENPP2GRIN2BCYP2D6CYP2C9
SCHEMBL7504941 0.83 FNTA (0.42) HTR2CENPP2GRIN2BCYP2D6CYP2C9
SCHEMBL7513129 0.80 FNTA (0.42) HTR2CENPP2GRIN2BKCNH2FNTA
SCHEMBL7066143 0.78 HTR2C (0.45) HTR2CENPP2GRIN2BCYP2D6CYP2C9
SCHEMBL7504480 0.78 FNTA (0.43) HTR2CENPP2KCNH2FNTAFNTB
SCHEMBL7508810 0.77 FNTA (0.42) HTR2CENPP2KCNH2FNTAFNTB
SCHEMBL6927139 0.76 FNTA (0.39) HTR2CFNTAFNTBPGGT1B
SCHEMBL7504158 0.75 FNTA (0.39) HTR2CFNTAFNTBPGGT1B
SCHEMBL7508735 0.75 FNTA (0.42) HTR2CFNTAFNTBPGGT1BGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP claimed
US-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof LG CHEMICAL LTD. 2002-09-26 US claimed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US claimed
EP-1045846-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-10-25 EP claimed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 WO claimed
EP-1045846-B1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2003-05-02 EP disclosed
US-6518429-B2 Anticancer agents, treating restenosis, atherosclerosis and hepatitis virus LG CHEMICAL, LTD. (KR) 2003-02-11 US disclosed
US-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof LG CHEMICAL LTD. 2002-09-26 US disclosed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US disclosed
EP-1045846-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LIMITED (KR) 2000-10-25 EP disclosed
WO-1999028315-A1 IMIDAZOLE DERIVATIVES HAVING AN INHIBITORY ACTIVITY FOR FARNESYL TRANSFERASE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD. (KR) 1999-06-10 WO 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-20020137769-A1 Imidazole derivatives having an inhibitory activity for farnesyl transferase and process for preparation thereof FNTA, FNTB, FDPS HTR2C 4873/4885ENPP2 2542/4885GRIN2B 4822/4885

“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.