SCHEMBL78966

SCHEMBL78966

Nc1ccc(N2CCCC2)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 3/20 0.55
GLA P06280 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 2/20 0.54
THRB P10828 2/20 0.54
KMT2A Q03164 2/20 0.54
NR4A1 P22736 1/20 0.54
PTK2B Q14289 1/20 0.54
NOTUM Q6P988 2/20 0.51
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 1/20 0.50
GFER P55789 1/20 0.50
YWHAG P61981 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 3/20 0.49

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
SCHEMBL30336413 0.98 ALDH1A1 (0.59) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL25194643 0.98 ALDH1A1 (0.59) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL1929368 0.98 ALDH1A1 (0.59) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL5563187 0.86 MAPT (0.54) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL10157709 0.85 MAPT (0.47) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL5252902 0.85 MAPT (0.52) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL1929073 0.85 MAPT (0.61) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL29039626 0.85 MAPT (0.52) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL31210319 0.85 MAPT (0.61) ALDH1A1POLBMAPTTP53SMN1; SMN2
SCHEMBL29959068 0.85 MAPT (0.59) ALDH1A1POLBMAPTTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-2190834-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2010-06-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
WO-2009024332-A1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2009-02-26 WO claimed
CN-119431239-A Compounds, pharmaceutical compositions, kits and uses thereof 密执安大学评议会 2025-02-14 CN disclosed
CN-113710241-B Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2024-11-15 CN disclosed
EP-4427812-A2 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE The Regents of the University of Michigan (US) 2024-09-11 EP disclosed
EP-3934634-B1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND RELATED METHODS OF USE UNIV MICHIGAN REGENTS (US) 2024-07-24 EP disclosed
CN-114025847-B Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2024-05-24 CN disclosed
US-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-09-22 US disclosed
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-05-26 US disclosed
US-11299487-B2 Compounds and compositions as modulators of TLR signaling NEUROPORE THERAPIES, INC. (US) 2022-04-12 US disclosed
EP-1411932-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY Bayer HealthCare AG (DE) 2004-04-28 EP disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation BAYER INTELLECTUAL PROPERTY GMBH (DE) 2003-08-14 US disclosed
WO-2003000256-A9 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER AG (DE) 2003-02-06 WO disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (5 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-20220298155-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 ALDH1A1 4634/4885POLB 2606/4885MAPT 100/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ALDH1A1 3632/4885POLB 2588/4885MAPT 899/4885
US-20030153610-A1 Substituted oxazolidinones and their in the field of blood coagulation F2, F11, SERPINC1 ALDH1A1 96/4885POLB 1309/4885MAPT 4763/4885
US-20220162167-A1 SUBSTITUTED BICYCLIC AND TETRACYCLIC QUINONES AND USE THEREOF AS ANTI-CANCER AGENTS MCL1, NQO1, GLS ALDH1A1 910/4885POLB 728/4885MAPT 2167/4885
US-11299487-B2 Compounds and compositions as modulators of TLR signaling TLR3, TLR6, TLR4 ALDH1A1 4515/4885POLB 2819/4885MAPT 124/4885

“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.