SCHEMBL4664253

SCHEMBL4664253

O[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 1.00
CYP2C9 P11712 10/20 0.63
CYP3A4 P08684 8/20 0.63
CYP1A2 P05177 7/20 0.60
CYP2D6 P10635 7/20 0.60
CYP2C19 P33261 7/20 0.60
IDO1 P14902 6/20 0.60
LMNA P02545 4/20 0.60
ALOX15 P16050 4/20 0.60
NR1I2 O75469 4/20 0.60
NR3C1 P04150 4/20 0.60
ADORA3 P0DMS8 4/20 0.60
DRD2 P14416 4/20 0.60
SLC6A2 P23975 4/20 0.60
SLC6A4 P31645 4/20 0.60
OPRK1 P41145 4/20 0.60
SLC6A3 Q01959 4/20 0.60
KCNH2 Q12809 4/20 0.60
FYN P06241 3/20 0.60
CHRM4 P08173 3/20 0.60

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
SCHEMBL4664843 1.00 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL4817509 1.00 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL30256070 1.00 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL29846165 1.00 ADRA2C (1.00) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL9366325 0.87 ADRA2C (0.76) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL10925864 0.86 ADRA2C (0.76) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL11263656 0.86 ADRA2C (0.76) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL11304305 0.85 ADRA2C (0.74) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11617815 0.85 ADRA2C (0.74) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6
SCHEMBL11278424 0.85 ADRA2C (0.74) ADRA2CCYP2C9CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101955462-A Fenticonazole nitrate, preparation of levorotatory form and dextrorotatory form and application of levorotatory form in preparing antifungal medicaments QIAOGEN ZOU 2011-01-26 CN claimed
CN-101955462-B Fenticonazole nitrate, preparation of levorotatory form and dextrorotatory form and application of levorotatory form in preparing antifungal medicaments QIAOGEN ZOU 2012-10-31 CN disclosed
CN-101955462-A Fenticonazole nitrate, preparation of levorotatory form and dextrorotatory form and application of levorotatory form in preparing antifungal medicaments QIAOGEN ZOU 2011-01-26 CN disclosed
US-7323433-B2 R-(-)-1-[2-(7-chlorobenzo[b]thiopen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole FERRER INTERNACIONAL, S.A. (ES) 2008-01-29 US disclosed
US-7323433-B2 R-(-)-1-[2-(7-chlorobenzo[b]thiopen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole FERRER INTERNACIONAL, S.A. (ES) 2008-01-29 US disclosed
US-7323433-B2 R-(-)-1-[2-(7-chlorobenzo[b]thiopen-3-yl-methoxy)-2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole FERRER INTERNACIONAL, S.A. (ES) 2008-01-29 US disclosed
EP-1474422-B1 R-(-)-1-¬2-(7-CHLOROBENZO-¬B -THIOPHEN-3-Yl-METHOXY)-2-(2,4-DICHLOROPHENYL)ETHYL -1H-IMIDAZOLE FERRER INT (ES) 2008-01-02 EP disclosed
US-6916813-B2 (1-phenyl-2-heteoaryl)ethyl-guanidine compounds as inhibitors of mitochondrial F1F0 ATP hydrolase BRISTOL-MYERS SQUIBB CO. (US) 2005-07-12 US disclosed
US-20050065201-A1 R-(-)-1-[2-(7- chlorobenzo[b]thiophen-3-yl- methoxy)-2-(2,4-dichlorophenyl)- ethyl]-1H-imidazole FERRER INTERNACIONAL S.A. (ES) 2005-03-24 US disclosed
EP-1474422-A1 R− (−) −1− 2− &lpar ;7−CHLOROBENZO i b /i THIOPHEN−3 &minus ;YL− METHOXY) −2− (2,4−DICHLOROPHENYL) −ETHYL −1 i H /i −IMID AZOLE FERRER INTERNACIONAL, S.A. (ES) 2004-11-10 EP disclosed
US-20040039033-A1 (1-phenyl-2-heteroaryl)ethyl-guanidine compounds as inhibitors of mitochondrial F1F0 ATP hydrolase BRISTOL-MYERS SQUIBB COMPANY 2004-02-26 US disclosed
WO-2003068770-A1 R- (-) -1- [2- (7-CHLOROBENZO [b] THIOPHEN-3 -YL- METHOXY) -2- (2,4-DICHLOROPHENYL) -ETHYL] -1H-IMIDAZOLE FERRER INTERNACIONAL S.A. (ES) 2003-08-21 WO disclosed
EP-1143798-A4 CHIRAL IMIDAZOLE FUNGICIDAL COMPOSITIONS AND METHODS FOR THEIR USE CELGENE CORP (US) 2002-08-28 EP disclosed
EP-1143798-A1 CHIRAL IMIDAZOLE FUNGICIDAL COMPOSITIONS AND METHODS FOR THEIR USE CELGENE CORPORATION (US) 2001-10-17 EP disclosed
US-6207695-B1 INHIBITING GROWTH OF FUNGUS IN ASSOCIATION WITH A PLANT COMPRISING APPLYING TO THE LOCUS OF A PLANT A FUNGICIDALLY EFFECTIVE AMOUNT OF THE (S)-ENANTIOMER OF 1-(2-(2,4-DICHLOROPHENYL)-2-(2-PROPENYLOXY)ETHYL)-1H-IMIDAZOLE CELGENE CORPORATION 2001-03-27 US disclosed
WO-2000038521-A1 CHIRAL IMIDAZOLE FUNGICIDAL COMPOSITIONS AND METHODS FOR THEIR USE CELGENE CORPORATION (US) 2000-07-06 WO disclosed
EP-0430194-A2 Aryl-alkyl-azoles substituted with many times unsaturated groups, process for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-05 EP 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 (2 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-20050065201-A1 R-(-)-1-[2-(7- chlorobenzo[b]thiophen-3-yl- methoxy)-2-(2,4-dichlorophenyl)- ethyl]-1H-imidazole IRF3, IRF2BP2, ARG2 ADRA2C 1250/4885CYP2C9 2477/4885CYP3A4 1071/4885
US-20040039033-A1 (1-phenyl-2-heteroaryl)ethyl-guanidine compounds as inhibitors of mitochondrial F1F0 ATP hydrolase ATP5F1A, ATP5ME, ATP5F1D ADRA2C 783/4885CYP2C9 595/4885CYP3A4 991/4885

“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.