SCHEMBL4914101

SCHEMBL4914101

Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
CYP3A4 P08684 2/20 0.58
LMNA P02545 1/20 0.51
GPR35 Q9HC97 2/20 0.47
TDP1 Q9NUW8 3/20 0.47
PDE7A Q13946 1/20 0.46
HIF1A Q16665 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TTR P02766 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL11677753 0.89 ALDH1A1 (0.50) ALDH1A1CYP3A4LMNAGPR35PDE7A
SCHEMBL2436697 0.86 ALDH1A1 (0.62) ALDH1A1CYP3A4LMNATDP1PDE7A
SCHEMBL11649757 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4GPR35TDP1PDE7A
SCHEMBL12583947 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4LMNATDP1PDE7A
SCHEMBL9173191 0.82 ALDH1A1 (0.72) ALDH1A1CYP3A4LMNATDP1HIF1A
SCHEMBL8902847 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNATDP1PDE7A
SCHEMBL21653949 0.82 ALDH1A1 (0.58) ALDH1A1CYP3A4LMNAGPR35TDP1
SCHEMBL28375616 0.82 ALDH1A1 (0.49) ALDH1A1CYP3A4LMNAGPR35TDP1
SCHEMBL30152587 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNATDP1PDE7A
SCHEMBL2313846 0.82 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNATDP1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080317806-A1 Antiparasitic Compounds MURDOCH UNIVERSITY (AU) 2008-12-25 US claimed
EP-1871743-A1 ANTIPARASITIC COMPOUNDS Murdoch University (AU) 2008-01-02 EP claimed
WO-2006108224-A1 ANTIPARASITIC COMPOUNDS MURDOCH UNIVERSITY (AU) 2006-10-19 WO claimed
EP-0287329-B1 Chromogenic cryptahemispherands useful in detecting electrolytes MILES INC (US) 1993-12-08 EP claimed
US-5177221-A Chromogenic hemispherands and their preparation MILES INC. (US) 1993-01-05 US claimed
US-5011924-A Measurement Of Ions TECHNICON INSTRUMENTS CORPORATION (US) 1991-04-30 US claimed
US-4992381-A Method of detecting electrolytes in an aqueous test sample using chromogenic hemispherands and test device therefor TECHNICON INSTRUMENTS CORPORATION (US) 1991-02-12 US claimed
US-4859606-A Method for detecting cations in a test sample utilizing chromogenic cryptahemispherands TECHNICON INSTRUMENTS CORPORATION (US) 1989-08-22 US claimed
EP-0287330-A2 Chromogenic hemispherands useful for detecting electrolytes Bayer Corporation (US) 1988-10-19 EP claimed
EP-0287329-A2 Chromogenic cryptahemispherands useful in detecting electrolytes Bayer Corporation (US) 1988-10-19 EP claimed
EP-0000156-B1 2-ARYLAMINO-3,5-DINITRO-BENZOTRIFLUORIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES. BAYER AG (DE) 1980-11-12 EP claimed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP claimed
US-20250115927-A1 METHODS FOR CLONAL PLANT PRODUCTION PIONEER HI-BRED INTERNATIONAL, INC. (US) 2025-04-10 US disclosed
US-20250101453-A1 METHODS OF PARTHENOGENIC HAPLOID INDUCTION AND HAPLOID CHROMOSOME DOUBLING PIONEER HI-BRED INTERNATIONAL, INC. (US) 2025-03-27 US disclosed
US-12146147-B2 Methods for clonal plant production PIONEER HI-BRED INTERNATIONAL, INC. (US) 2024-11-19 US disclosed
WO-2022128850-A1 NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-06-23 WO disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP disclosed
EP-0000156-A1 2-Arylamino-3,5-dinitro-benzotrifluorides, process for their preparation and their use as pesticides. BAYER AG (DE) 1979-01-10 EP disclosed
US-4059402-A SUBLIMATION, MONOAZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1977-11-22 US disclosed
US-4056523-A SULFONAMIDO SUBSTITUTED HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 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 (1 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-20080317806-A1 Antiparasitic Compounds CYCS, CBR3, CBR1 ALDH1A1 2244/4885CYP3A4 441/4885LMNA 2565/4885

“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.