SCHEMBL2889785

SCHEMBL2889785

Cc1cc(Cn2cc(C(F)(F)C(F)(F)F)cn2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KLKB1 P03952 13/20 0.38
GRM2 Q14416 1/20 0.38
SKP2 Q13309 1/20 0.37
CREBBP Q92793 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 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
SCHEMBL5906282 0.80 KLKB1 (0.48) MAPTLMNAKMT2AMEN1TSHR
SCHEMBL1832898 0.80 KCNH2 (0.46) MAPTLMNAKMT2AMEN1CREBBP
SCHEMBL1838061 0.78 SKP2 (0.36) MAPTLMNAKMT2AMEN1KLKB1
SCHEMBL2161248 0.77 KLKB1 (0.37) KLKB1GRM2SKP2
SCHEMBL1836900 0.77 SKP2 (0.35) MAPTLMNAKMT2AMEN1KLKB1
SCHEMBL2161783 0.76 ALDH1A1 (0.41) MAPTKMT2AMEN1TSHRKLKB1
SCHEMBL2161490 0.76 GRIA2 (0.38) KMT2AMEN1KLKB1SKP2
SCHEMBL2889321 0.76 RAD52 (0.38) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL2162268 0.75 SKP2 (0.36) MAPTLMNAKMT2AMEN1KLKB1
SCHEMBL1836266 0.74 KLKB1 (0.34) MAPTKMT2AMEN1KLKB1GRM2

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
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
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 MAPT 4020/4885LMNA 1336/4885KMT2A 765/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT MAPT 3425/4885LMNA 1631/4885KMT2A 302/4885

“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.