SCHEMBL1936005

SCHEMBL1936005

NC(=NO)c1cc(-c2c(Cl)cccc2C(F)(F)F)ccn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.41
ABL1 P00519 1/20 0.41
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCN5A Q14524 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
GRM4 Q14833 2/20 0.35
KDR P35968 1/20 0.34
FABP4 P15090 2/20 0.33
TYK2 P29597 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
RET P07949 1/20 0.33
RAF1 P04049 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
SCHEMBL12439777 1.00 SCN9A (0.41) SCN9AABL1GAANPC1RAB9A
SCHEMBL1935683 0.86 SCN9A (0.46) SCN9AGAANPC1RAB9ASCN5A
SCHEMBL12439780 0.86 SCN9A (0.46) SCN9AGAANPC1RAB9ASCN5A
SCHEMBL1934839 0.79 SCN9A (0.48) SCN9AGAANPC1RAB9ATDP1
SCHEMBL12439746 0.79 SCN9A (0.48) SCN9AGAANPC1RAB9ATDP1
SCHEMBL12439758 0.79 MPL (0.42) SCN9AGAANPC1RAB9ATDP1
SCHEMBL1935769 0.79 MPL (0.42) SCN9AGAANPC1RAB9ATDP1
SCHEMBL1935601 0.76 SCN9A (0.44) SCN9AGAANPC1RAB9ASCN10A
SCHEMBL12439765 0.76 SCN9A (0.44) SCN9AGAANPC1RAB9ASCN10A
SCHEMBL12439744 0.75 KMO (0.45) NPC1RAB9AHTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2332936-B1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO (JP) 2013-09-04 EP disclosed
US-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-07-21 US disclosed
EP-2332936-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2011-06-15 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-20110178132-A1 PYRIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL C5, PRDX1, PRDX4 SCN9A 3140/4885ABL1 1923/4885GAA 4246/4885

“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.