SCHEMBL6921791

SCHEMBL6921791

OCc1cncn1CCc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
SLC6A4 P31645 1/20 0.43
CYP19A1 P11511 1/20 0.40
PKM P14618 1/20 0.40
CYP1A2 P05177 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
BACE1 P56817 1/20 0.38
SIGMAR1 Q99720 1/20 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
SCHEMBL6599637 0.86 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1PKM
Hydrochloric Acid SCHEMBL6923323 0.85 HRH3 (0.44) HRH3CYP11B1CYP11B2SLC6A4CYP19A1
Hydrochloric Acid SCHEMBL8138878 0.84 HRH3 (0.43) HRH3CYP11B1CYP11B2SLC6A4CYP19A1
SCHEMBL6599521 0.78 CYP11B1 (0.43) CYP11B1CYP11B2HDAC3HDAC4HDAC1
SCHEMBL6926992 0.78 CYP11B1 (0.45) CYP11B1CYP11B2
SCHEMBL6601047 0.77 SIGMAR1 (0.51) HRH3CYP11B1CYP11B2SIGMAR1
SCHEMBL6599385 0.77 CYP11B1 (0.48) HRH3CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL6601220 0.77 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1
SCHEMBL6599405 0.77 CYP11B1 (0.58) CYP11B1CYP11B2
SCHEMBL6925358 0.77 CYP11B1 (0.57) CYP11B1CYP11B2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1188407-C Imidazole derivatives with inhabiting activity to transterasa and preparing method thereof LG CHEMICAL LTD (KR) 2005-02-09 CN 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-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
CN-1279680-A Imidazole derivatives having farnesyl transferase inhibitory activity and process for producing the same LG CHEMICAL LTD (KR) 2001-01-10 CN 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 HRH3 4145/4885CYP11B1 74/4885CYP11B2 110/4885

“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.