SCHEMBL6599013

SCHEMBL6599013

COC(Cc1ccccc1)n1cncc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
TRPA1 O75762 2/20 0.39
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
ABCB11 O95342 1/20 0.35
GABRA2 P47869 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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 SCHEMBL6599044 0.84 CYP11B1 (0.40) CYP11B1CYP11B2MAPK1CYP1A2CYP3A4
SCHEMBL6599386 0.82 TRPA1 (0.45) CYP11B1CYP11B2TRPA1ALDH1A1POLB
SCHEMBL6601224 0.79 CYP11B1 (0.41) CYP11B1CYP11B2TRPA1MAPK1ALDH1A1
SCHEMBL6599524 0.79 CYP11B1 (0.41) CYP11B1CYP11B2TRPA1MAPK1ALDH1A1
SCHEMBL6599408 0.79 CYP11B1 (0.48) CYP11B1CYP11B2TRPA1MAPK1ALDH1A1
SCHEMBL6602691 0.78 CYP11B1 (0.33) CYP11B1CYP11B2MAPK1MAPT
SCHEMBL6601373 0.75 POLB (0.40) TRPA1MAPK1ALDH1A1POLBCYP1A2
SCHEMBL6923290 0.73 ALDH1A1 (0.59) CYP11B1CYP11B2MAPK1ALDH1A1CYP1A2
SCHEMBL9805050 0.73 ALDH1A1 (0.59) CYP11B1CYP11B2MAPK1ALDH1A1CYP1A2
SCHEMBL6922657 0.73 ALDH1A1 (0.59) CYP11B1CYP11B2MAPK1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1169320-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2004-09-22 EP disclosed
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-6511978-B1 For treating cancer, restenosis, atherosclerosis or viral infections LG LIFE SCIENCES, LTD. (KR) 2003-01-28 US disclosed
EP-1169320-A4 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD (KR) 2002-10-30 EP 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
EP-1169320-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG Chem Investment, Ltd. (KR) 2002-01-09 EP disclosed
US-6268363-B1 ANTITUMOR LG CHEMICAL LTD. (KR) 2001-07-31 US disclosed
WO-2000064891-A1 FARNESYL TRANSFERASE INHIBITORS HAVING A PYRROLE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEM INVESTMENT LTD. (KR) 2000-11-02 WO 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 CYP11B1 74/4885CYP11B2 110/4885TRPA1 4111/4885

“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.