SCHEMBL916408

SCHEMBL916408

O=Cc1ccc(-c2nc([N+](=O)[O-])n[nH]2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GRK6 P43250 6/20 0.36
RAB9A P51151 3/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
CASP3 P42574 2/20 0.35
MMP13 P45452 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
NPBWR1 P48145 2/20 0.33
TYMP P19971 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL916287 0.78 GRK6 (0.36) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL18284832 0.70 LMNA (0.59) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL15776050 0.69 MAPT (0.35) MAPTLMNAMEN1KMT2AHTT
SCHEMBL1591294 0.67 ERN1 (0.58) MAPTLMNAMEN1KMT2ARAB9A
SCHEMBL29828302 0.66 ERN1 (0.46)
SCHEMBL916143 0.65 LMNA (0.34) MAPTLMNAMEN1KMT2AGRK6
SCHEMBL19360269 0.65 KDR (0.39) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL18215147 0.65 TNIK (0.36) RAB9ASMN1; SMN2
SCHEMBL21199864 0.64 ERN1 (0.45)
SCHEMBL21414769 0.64 NOTUM (0.65) RAB9ANPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803712-B1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO (JP) 2015-12-30 EP disclosed
CN-101039922-B 3-triazolylphenyl sulfide derivative and insecticide/acaricide/nematicide containing the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO 2011-04-13 CN disclosed
US-7872036-B2 3-triazolylphenyl sulfide derivative and insecticide, miticide and nematicide containing it as an active ingredient KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-18 US disclosed
US-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2009-03-19 US disclosed
CN-101039922-A 3-triazolylphenyl sulfide derivative and insecticide/acaricide/nematicide containing the same as active ingredient KUMIAI CHEMICAL INDUSTRY CO (JP) 2007-09-19 CN disclosed
EP-1803712-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-07-04 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-20090076282-A1 3-TRIAZOLYLPHENYL SULFIDE DERIVATIVE AND INSECTICIDE/ACARICIDE/NEMATICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT CBR3, CBS, AHCYL1 MAPT 2783/4885LMNA 4796/4885MEN1 2825/4885

“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.