SCHEMBL4728834

SCHEMBL4728834

O=[N+]([O-])c1cccc(Cl)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46
CYP2D6 P10635 1/20 0.46
GPR35 Q9HC97 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL27176600 0.82 APEX1 (0.42) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL6886786 0.81 TDP1 (0.48) HPGDTDP1ALDH1A1TSHRCYP1A2
SCHEMBL1995565 0.79 TDP1 (0.47) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL9694041 0.79 TDP1 (0.47) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL9905068 0.78 TDP1 (0.45) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL11375306 0.78 GPR35 (0.56) TDP1ALDH1A1TSHRGPR35SMN1; SMN2
SCHEMBL4520380 0.78 TDP1 (0.45) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL10338398 0.78 TSHR (0.58) TDP1ALDH1A1TSHRGPR35MEN1
SCHEMBL16953540 0.78 TDP1 (0.45) HPGDTDP1ALDH1A1TSHRCYP3A4
SCHEMBL28303063 0.78 ALDH1A1 (0.46) TDP1ALDH1A1TSHRCYP3A4ALOX15

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107793413-A Pyrimidine heterocyclic compound and its preparation method and application 天津滨江药物研发有限公司 2018-03-13 CN disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
WO-2008084324-A1 NAPHTHYRIDINONE COMPOUND PFIZER PRODUCTS INC. (US) 2008-07-17 WO disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
US-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE PFIZER INC. 2008-07-10 US disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
WO-2008020306-A2 ISOINDOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-21 WO disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed
US-4110405-A One step process for preparing 2,6-dinitro-4-trifluoromethylchlorobenzene by nitration of 4-trifluoromethylchlorobenzene MONTEDISON S.P.A. (IT) 1978-08-29 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-20080167319-A1 7-(4-(4-[3-CHLORO-2-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL)BUTOXY)-[1,8]-NAPHTHYRIDIN-2(1H)-ONE BDNF, SCN7A, GRIN2C HPGD 2103/4885TDP1 1455/4885ALDH1A1 290/4885

“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.