SCHEMBL16174751

SCHEMBL16174751

O=[N+]([O-])c1c(Cl)ccc(CC(F)(F)C(F)(F)C(F)(F)F)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TXNRD1 Q16881 1/20 0.32
TXNRD3 Q86VQ6 1/20 0.32
TXNRD2 Q9NNW7 1/20 0.32
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL16174813 0.76 GRIN2D (0.47) TSHRTDP1ALDH1A1LMNAHSD17B10
SCHEMBL16175071 0.74 ALDH1A1 (0.47) TSHRTDP1ALDH1A1HPGDHIF1A
SCHEMBL9899292 0.73 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4LMNAPDK1
SCHEMBL669971 0.73 TSHR (0.44) TSHRTDP1ALDH1A1HPGDHIF1A
SCHEMBL10615908 0.72 TSHR (0.44) TSHRTDP1ALDH1A1HPGDHIF1A
SCHEMBL16175307 0.70 TSHR (0.41) TSHRTDP1ALDH1A1LMNAHSD17B10
SCHEMBL374327 0.69 EPAS1 (0.52) TSHRTDP1ALDH1A1HPGDHIF1A
SCHEMBL29763615 0.69 EPAS1 (0.52) TSHRTDP1ALDH1A1HPGDHIF1A
SCHEMBL10980919 0.69 TSHR (0.62) TSHRTDP1ALDH1A1LMNAHSD17B10
SCHEMBL16174940 0.68 ARNT (0.39) TDP1ALDH1A1CYP3A4LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2792667-B1 DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 2018-02-07 EP disclosed
US-9550724-B2 Diphenylamine compounds and production method thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-01-24 US disclosed
US-20140336415-A1 DIPHENYLAMINE COMPOUNDS AND PRODUCTION METHOD THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-11-13 US disclosed
EP-2792667-A1 DIPHENYLAMINE COMPOUND AND METHOD FOR PRODUCING SAME Ihara Chemical Industry Co., Ltd. (JP) 2014-10-22 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 (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-20140336415-A1 DIPHENYLAMINE COMPOUNDS AND PRODUCTION METHOD THEREOF DDT, PAH, DDC TSHR 1952/4885TDP1 1985/4885ALDH1A1 419/4885

“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.