SCHEMBL6928448

SCHEMBL6928448

CCC(c1ccccc1)n1cncc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
GABRA1 P14867 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
GABRB2 P47870 2/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABCB11 O95342 1/20 0.42
GABRA2 P47869 1/20 0.42
CYP17A1 P05093 2/20 0.40
OPRK1 P41145 2/20 0.40
MAPK1 P28482 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRL1 P41146 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
Hydrochloric Acid SCHEMBL6926982 0.84 CYP17A1 (0.40) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL6923290 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL9805050 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL6922657 0.81 ALDH1A1 (0.59) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
Hydrochloric Acid SCHEMBL9804755 0.80 ALDH1A1 (0.57) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL19999184 0.75 TDP1 (0.46) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL19999182 0.74 TDP1 (0.45) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL13160966 0.73 MAPK1 (0.48) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL6599386 0.73 TRPA1 (0.45) ALDH1A1TDP1CYP11B1CYP11B2GABRA1
SCHEMBL28841427 0.72 CYP11B1 (0.43) ALDH1A1TDP1CYP11B1CYP11B2GABRA1

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 7 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 disclosed
US-6518429-B2 Anticancer agents, treating restenosis, atherosclerosis and hepatitis virus LG CHEMICAL, LTD. (KR) 2003-02-11 US disclosed
US-6472526-B1 SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE OR PHARMACEUTICALLY ACCEPTABLE SALTS OR ISOMERS THEREOF, IN PHARMACEUTICAL COMPOSITION AND INTERMEDIATES LG CHEMICAL LTD. (KR) 2002-10-29 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 ALDH1A1 646/4885TDP1 3032/4885CYP11B1 74/4885

“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.