SCHEMBL6203515

SCHEMBL6203515

O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
CYP3A4 P08684 3/20 0.68
TSHR P16473 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
HPGD P15428 1/20 0.68
ALOX15 P16050 1/20 0.68
HIF1A Q16665 1/20 0.68
TXNRD1 Q16881 1/20 0.68
TXNRD3 Q86VQ6 1/20 0.68
TXNRD2 Q9NNW7 1/20 0.68
PTPN5 P54829 1/20 0.56
MAPK1 P28482 5/20 0.53
MAPT P10636 5/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
GAA P10253 2/20 0.47
PLK1 P53350 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL30568369 0.90 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL2654731 0.90 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29805021 0.87 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL20477136 0.87 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL29804806 0.87 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL1531127 0.87 CYP3A4 (0.68) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL10440577 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL23273179 0.82 MAPT (0.57) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL9316398 0.81 GPR35 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD
SCHEMBL994270 0.81 ALDH1A1 (0.66) ALDH1A1CYP3A4TSHRTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180057-B1 PROCESS FOR THE PREPARATION OF HALO AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 1989-08-09 EP claimed
US-4590315-A Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-20 US claimed
EP-0180057-A1 Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-07 EP claimed
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2017-10-05 US disclosed
EP-3187584-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS Japan Science and Technology Agency (JP) 2017-07-05 EP disclosed
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators LANTER JAMES C (US) 2005-05-19 US disclosed
US-6858621-B2 2-(quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-02-22 US disclosed
EP-1501835-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-02-02 EP disclosed
US-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-01-22 US disclosed
WO-2003090672-A2 2-(QUINOLONYL)-FUSED HETEROCYCLES AS ANDROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-11-06 WO disclosed
EP-0738713-B1 Process for the preparation of pesticidal 1-(chloroaryl)heterocyclic compounds RHONE POULENC AGROCHIMIE (FR) 2000-02-09 EP disclosed
EP-0270964-B1 PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES BAYER AG (DE) 1992-07-08 EP disclosed
US-4868347-A SOLVENT EXTRACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
EP-0180057-B1 PROCESS FOR THE PREPARATION OF HALO AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 1989-08-09 EP disclosed
EP-0289036-A1 Preparation of 3-chloro-4,5-difluorobenzotrifluoride OCCIDENTAL CHEMICAL CORPORATION (US) 1988-11-02 EP disclosed
EP-0270964-A2 Process for obtaining substituted fluorobenzenes BAYER AG (DE) 1988-06-15 EP disclosed
US-4590315-A Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-20 US disclosed
US-4590315-A Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-20 US disclosed
EP-0180057-A1 Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-07 EP disclosed
EP-0180057-A1 Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-07 EP 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 (3 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-20040014743-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, ESRRA ALDH1A1 708/4885CYP3A4 295/4885TSHR 401/4885
US-20170283787-A1 METHOD FOR NON-ENZYMATIC COMBINATION OF NUCLEIC ACID CHAINS RNGTT, POLRMT, DNTT ALDH1A1 1261/4885CYP3A4 1474/4885TSHR 2392/4885
US-20050107372-A1 2-(Quinolonyl)-fused heterocycles as androgen receptor modulators AR, NR5A1, CYP19A1 ALDH1A1 886/4885CYP3A4 334/4885TSHR 258/4885

“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.