SCHEMBL16175307

SCHEMBL16175307

CCCc1ccc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
VCAM1 P19320 6/20 0.38
ALDH1A1 P00352 6/20 0.37
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TLR9 Q9NR96 2/20 0.36
MITF O75030 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL16174785 0.90 CTRC (0.41) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16174813 0.89 GRIN2D (0.47) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27679282 0.85 VCAM1 (0.37) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL669971 0.79 TSHR (0.44) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16175251 0.77 MAPT (0.44) TSHRALDH1A1LMNANPC1MAPT
SCHEMBL10980919 0.75 TSHR (0.62) TSHRGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10061111 0.73 TAAR1 (0.39) TDP1MAPT
SCHEMBL16174936 0.72 MAPT (0.49) TSHRTDP1ALDH1A1LMNAMAPT
SCHEMBL16175317 0.72 MAPT (0.46) ALDH1A1LMNANPC1MAPTRAB9A
SCHEMBL7514813 0.72 ALDH1A1 (0.56) TSHRGRIN2DGRIN3BGRIN1GRIN2A

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 1952/4885GRIN2D 2363/4885GRIN3B 2541/4885

“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.