SCHEMBL78160

SCHEMBL78160

CC(C)(C)c1c(Cl)cccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CYP2A6 P11509 2/20 0.43
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.39
HSD11B1 P28845 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.36
PNMT P11086 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
PDK1 Q15118 1/20 0.34
PDK2 Q15119 1/20 0.34
PDK3 Q15120 1/20 0.34
PDK4 Q16654 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL803041 0.85 GABRA1 (0.40) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL15132131 0.85 CA2 (0.46) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL3105850 0.83 MEN1 (0.37) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL2499899 0.83 TSHR (0.50) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL21718844 0.83 NOTUM (0.38) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL802985 0.83 GAA (0.41) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL3787591 0.83 ALDH1A1 (0.52) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL21718835 0.83 CYP1A2 (0.35) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL6578871 0.82 CYP1A2 (0.43) CYP1A2CYP2A6TSHRLMNAALDH1A1
SCHEMBL16307979 0.81 NOTUM (0.37) CYP1A2CYP2A6TSHRLMNAHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF ORIGENIS GMBH (DE) 2023-11-23 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ABM THERAPEUTICS CORP (US) 2023-09-28 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors JANSSEN BIOTECH, INC. 2023-09-12 US disclosed
US-20070117801-A1 Indane derivatives as modulator of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2007-05-24 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-20070066598-A1 Compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US disclosed
US-20070066599-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2007-03-22 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof WYETH (US) 2006-10-26 US disclosed
US-3989611-A HALOGENATED HYDROCARBON CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-11-02 US 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 (12 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-20230303570-A1 KINASE INHIBITORS AND USES THEREOF ERBB2, ERBB3, ERBB4 CYP1A2 3013/4885CYP2A6 3532/4885TSHR 3215/4885
US-20230373985-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, MAPKAPK2, MAP3K20 CYP1A2 4441/4885CYP2A6 4537/4885TSHR 1756/4885
US-20070066599-A1 New compounds SULT2A1, GPR119, STS CYP1A2 221/4885CYP2A6 68/4885TSHR 1178/4885
US-11753393-B2 Dihydroorotate dehydrogenase inhibitors DHODH, DLD, DPYD CYP1A2 406/4885CYP2A6 628/4885TSHR 4034/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR CYP1A2 270/4885CYP2A6 185/4885TSHR 59/4885
US-20070066598-A1 Compounds SULT2A1, STS, SLC5A2 CYP1A2 109/4885CYP2A6 40/4885TSHR 1299/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 CYP1A2 2006/4885CYP2A6 1101/4885TSHR 1824/4885
US-20060241172-A1 Benzodioxane and benzodioxolane derivatives and uses thereof HTR2C, HTR1D, HTR1A CYP1A2 99/4885CYP2A6 481/4885TSHR 216/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CYP1A2 3330/4885CYP2A6 3548/4885TSHR 4253/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 CYP1A2 109/4885CYP2A6 40/4885TSHR 1299/4885
US-20070117801-A1 Indane derivatives as modulator of ion channels KCNJ2, TRPV1, KCNJ1 CYP1A2 1183/4885CYP2A6 2176/4885TSHR 2914/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CYP1A2 878/4885CYP2A6 1219/4885TSHR 441/4885

“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.