SCHEMBL279564

SCHEMBL279564

CC(C)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
NFKB1 P19838 1/20 0.44
PNMT P11086 1/20 0.44
ALDH1A1 P00352 5/20 0.43
LMNA P02545 3/20 0.43
CYP2A6 P11509 2/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
SLC6A2 P23975 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
GABRA1 P14867 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL12197686 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL2629468 0.85 CA1 (0.40) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL31621460 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL3790528 0.83 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL15371495 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL4547923 0.83 ALDH1A1 (0.42) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL2271542 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL12295350 0.83 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL7036675 0.83 TSHR (0.50) CYP1A2CYP3A4CYP2D6NFKB1PNMT
SCHEMBL2353810 0.82 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6NFKB1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0083685-B1 MANUFACTURE OF DIISOCYANATES AMERICAN CYANAMID COMPANY (US) 1985-03-06 EP claimed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease STANFORD RES INST INT (US) 2024-07-11 US disclosed
WO-2024145245-A2 ALPHA-V-BETA-8 INTEGRIN INHIBITORS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2024-07-04 WO disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
WO-2024019957-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CELGENE CORPORATION (US) 2024-01-25 WO disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
WO-2024003535-A2 COMPOUNDS UNIVERSITY OF DUNDEE (GB) 2024-01-04 WO disclosed
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE AMYGDALA NEUROSCIENCES, INC. (US) 2023-12-14 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds AMGEN INC. (US) 2007-03-29 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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 (10 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-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 CYP1A2 448/4885CYP3A4 14/4885CYP2D6 56/4885
US-20230399307-A1 ALDH-2 INHIBITOR COMPOUNDS AND METHODS OF USE ALDH1A1, ALDH2, ALDH3A1 CYP1A2 47/4885CYP3A4 515/4885CYP2D6 352/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 CYP1A2 2606/4885CYP3A4 609/4885CYP2D6 2291/4885
US-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 CYP1A2 4020/4885CYP3A4 3553/4885CYP2D6 4187/4885
US-20240228495-A1 Tricyclic Inhibitors of Influenza Virus Endonuclease RNASEH1, RNASEL, DNASE1 CYP1A2 752/4885CYP3A4 826/4885CYP2D6 769/4885
US-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 CYP1A2 1148/4885CYP3A4 596/4885CYP2D6 469/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 CYP1A2 14/4885CYP3A4 7/4885CYP2D6 43/4885
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 CYP1A2 2970/4885CYP3A4 4070/4885CYP2D6 3776/4885
US-20070072851-A1 Pyrazolopyridine and pyrazolopyrimidine compounds LCK, MAP4K5, TPMT CYP1A2 1118/4885CYP3A4 589/4885CYP2D6 476/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS CYP1A2 3478/4885CYP3A4 3711/4885CYP2D6 2836/4885

“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.