SCHEMBL209096

SCHEMBL209096

COc1cc(Cl)c(CBr)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.36
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
P2RX7 Q99572 2/20 0.33
CYP3A4 P08684 1/20 0.33
P2RY12 Q9H244 1/20 0.33
SLC6A4 P31645 4/20 0.33
HTR2A P28223 3/20 0.33
KCNH2 Q12809 2/20 0.33
CRHR1 P34998 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL3784848 0.79 MAPT (0.44) ALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL8415344 0.79 ALDH1A1 (0.46) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL4524516 0.79 ALDH1A1 (0.46) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL9171915 0.77 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL211976 0.77 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL9171904 0.77 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL13955145 0.77 ALDH1A1 (0.43) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
SCHEMBL6643677 0.76 ALDH1A1 (0.48) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
Bromide SCHEMBL25374934 0.76 ALDH1A1 (0.42) ALDH1A1TAAR1CYP1A1CYP1B1CYP3A4
Hydrochloric Acid SCHEMBL2301222 0.76 TAAR1 (0.44) ALDH1A1TAAR1HTR2A

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 75 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590080-B2 Compounds PAKINAX PTY LTD. (AU) 2026-03-31 US disclosed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
EP-4204400-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION Fibrogen, Inc. (US) 2023-07-05 EP disclosed
CN-116348450-A Compounds, compositions and methods for histone lysine demethylase inhibition 菲布罗根有限公司 2023-06-27 CN disclosed
WO-2022047230-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. (US) 2022-03-03 WO disclosed
WO-2022000031-A1 NOVEL COMPOUNDS Pakinax Pty Ltd (AU) 2022-01-06 WO disclosed
WO-2022000031-A1 NOVEL COMPOUNDS Pakinax Pty Ltd (AU) 2022-01-06 WO disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
WO-2007127704-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed
WO-2007127704-A1 CYCLOHEXYL SUBSTITUTED PYRROLIDINONES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed
WO-2007127726-A2 INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-08 WO disclosed
WO-2007124329-A1 CYCLOHEXYLIMIDAZOLE LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
WO-2007124254-A2 CYCLOHEXYLPYRAZOLE-LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
WO-2007124337-A1 BIPHENYL AMIDE LACTAM DERIVATIVES AS INHIBITORS OF 11- BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-11-01 WO disclosed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 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 (4 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-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 ALDH1A1 108/4885TAAR1 4341/4885CYP1A1 117/4885
US-12590080-B2 Compounds PAK4, PAK2, PAK1 ALDH1A1 2984/4885TAAR1 1906/4885CYP1A1 3684/4885
US-20230242519-A1 NOVEL COMPOUNDS PAK4, PAK2, PAK1 ALDH1A1 3084/4885TAAR1 3911/4885CYP1A1 4398/4885
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION KDM5C, KDM5B, KDM5A ALDH1A1 2449/4885TAAR1 4600/4885CYP1A1 3536/4885

“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.