SCHEMBL2888083

SCHEMBL2888083

Cc1cc(-c2nc(C(F)(F)F)n(C)n2)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP2 O95551 1/20 0.36
HTT P42858 2/20 0.35
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL1834867 0.84 NPC1 (0.41) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL1836031 0.80 ALDH1A1 (0.49) NPC1RAB9AMAPTALDH1A1TDP2
SCHEMBL2884110 0.78 ALDH1A1 (0.44) NPC1RAB9ATSHRMAPTPOLB
SCHEMBL1831152 0.77 GAA (0.40) MEN1KMT2ATSHRSIRT6MAPT
SCHEMBL1831038 0.74 MAPT (0.48) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL1835286 0.73 NPC1 (0.59) NPC1RAB9AMAPTHTT
SCHEMBL1836227 0.72 NPC1 (0.40) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL11293963 0.71 MAPT (0.60) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL2888062 0.71 HDAC3 (0.40) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL9227141 0.71 NPC1 (0.47) NPC1RAB9AMEN1KMT2ATSHR

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
US-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2010-05-27 US disclosed
US-7674807-B2 Heterocycle-substituted n-phenyl-phthalamide derivatives, related compounds and their use as insecticides BAYER CROPSCIENCE AG (DE) 2010-03-09 US disclosed
EP-1727804-B1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2009-11-04 EP disclosed
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 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 (2 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-20100130743-A1 HETEROCYCLE-SUBSTITUTED, N-PHENYL-PHTHALAMIDE DERIVATIVES, RELATED COMPOUNDS AND THEIR USE AS INSECTICIDES DDT, SQOR, CYP2S1 NPC1 2617/4885RAB9A 1199/4885MEN1 1134/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT NPC1 2884/4885RAB9A 1055/4885MEN1 823/4885

“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.