SCHEMBL2887846

SCHEMBL2887846

Cc1cc(-n2cc(Br)c(C(F)(F)F)n2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
RAD52 P43351 2/20 0.39
GAA P10253 3/20 0.38
NPC1 O15118 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
RAB9A P51151 4/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
MCL1 Q07820 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.33
MPO P05164 2/20 0.32
KCNH2 Q12809 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL28113483 0.74 DGAT1 (0.41) KDM4EMAPTGAANPC1KMT2A
SCHEMBL2161366 0.74 KLKB1 (0.40) KDM4EKMT2AALDH1A1
SCHEMBL2161196 0.74 PRMT6 (0.49) KDM4EMAPTRAD52GAANPC1
SCHEMBL18094326 0.69 NOTUM (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2884387 0.69 MAPT (0.39) KDM4EMAPTRAD52GAANPC1
SCHEMBL1834634 0.68 KDM4E (0.55) KDM4EMAPTRAD52GAANPC1
SCHEMBL25255677 0.68
SCHEMBL2892026 0.68 ALDH1A1 (0.49) KDM4EMAPTRAD52GAANPC1
SCHEMBL2892005 0.68 STIM1 (0.44) KDM4EMAPTRAD52THRBALDH1A1
SCHEMBL1834249 0.68 NPC1 (0.45) KDM4EMAPTRAD52NPC1MEN1

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 5 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
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides BAYER CROPSCIENCE AG (DE) 2007-12-27 US disclosed
EP-1727804-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2006-12-06 EP disclosed
WO-2005095351-A1 N1 - ((PYRAZOL-1-YMETHYL) -2-METHYLPHENYL)- PHATALAMIDE DERIVATIVES AND RELATED COMPOUNDS INSECTICIDES BAYER CROPSCIENCE AG (DE) 2005-10-13 WO 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 KDM4E 1692/4885MAPT 4020/4885RAD52 3509/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT KDM4E 560/4885MAPT 3425/4885RAD52 4117/4885

“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.