SCHEMBL2889936

SCHEMBL2889936

Cc1cc(-c2nnc(C(F)(F)C(F)(F)F)o2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TP53 P04637 2/20 0.42
ALOX12 P18054 1/20 0.42
HAVCR2 Q8TDQ0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
POLB P06746 1/20 0.38
KDM4E B2RXH2 5/20 0.37
HTR7 P34969 1/20 0.37
NOTUM Q6P988 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL2884209 0.92 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL2891668 0.88 HDAC6 (0.51) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL5178800 0.84 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL24623120 0.81 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL19859806 0.80 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL2183405 0.77 NPC1 (0.46) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL24623365 0.75 NPC1 (0.66) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL19321936 0.74 HDAC6 (0.55) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL24473988 0.74 NPC1 (0.61) ALDH1A1TDP1CYP3A4TSHRNPC1
SCHEMBL30587149 0.74 NPC1 (0.61) ALDH1A1TDP1CYP3A4TSHRNPC1

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 ALDH1A1 1137/4885TDP1 4201/4885CYP3A4 111/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT ALDH1A1 2697/4885TDP1 1375/4885CYP3A4 30/4885

“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.