SCHEMBL2884110

SCHEMBL2884110

Cc1cc(-c2nc(C(F)(F)F)n(C)n2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
APP P05067 1/20 0.37
TDP2 O95551 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HSD17B2 P37059 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
AOC3 Q16853 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 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
SCHEMBL5716659 0.80 SYK (0.37) TSHRTDP2KDM4EAOC3POLB
SCHEMBL2888083 0.78 NPC1 (0.44) ALDH1A1TSHRTDP2NPC1RAB9A
SCHEMBL15299211 0.77 AHR (0.46) TDP2NPC1RAB9AHRH4AOC3
SCHEMBL10917559 0.74 KDM4C (0.47) ALDH1A1TDP2NPC1RAB9ASMN1; SMN2
SCHEMBL2161234 0.74 SKP2 (0.37) ALDH1A1CYP3A4TSHRTDP1TDP2
SCHEMBL25298095 0.74 USP1 (0.40) TDP2NPC1RAB9AAOC3NR1H2
SCHEMBL10916703 0.72 KDM4C (0.49) ALDH1A1CYP3A4TSHRTDP2NPC1
SCHEMBL1836031 0.71 ALDH1A1 (0.49) ALDH1A1TDP2NPC1RAB9AMAPT
SCHEMBL2161056 0.70 SMN1; SMN2 (0.50) ALDH1A1CYP3A4TSHRNPC1RAB9A
SCHEMBL2888002 0.70 HDAC4 (0.50) ALDH1A1CYP3A4TSHRTDP1S1PR1

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
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

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 1137/4885CYP3A4 111/4885TSHR 1924/4885
US-20070299085-A1 N1-((Pyrazol-1-Ymethyl)-2-Methylphenyl)-Phatalamide Derivatives And Related Compounds Insecticides CHRM1, KCNH1, DDT ALDH1A1 2697/4885CYP3A4 30/4885TSHR 1289/4885

“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.