SCHEMBL4932028

SCHEMBL4932028

O=C(Nc1ccccc1-c1ccc(F)cc1F)c1cccnc1Cl

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
EGFR P00533 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47

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
SCHEMBL4928364 0.91 TDP1 (0.69) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL4927155 0.91 TDP1 (0.65) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL4927640 0.88 TDP1 (0.65) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL4493780 0.85 MAPT (0.56) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL29395986 0.85 MAPT (0.56) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL32670789 0.85 MAPT (0.56) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL7179988 0.84 TDP1 (0.81) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL4922044 0.82 TDP1 (0.70) TDP1ALDH1A1HPGDGAAKDM4E
Cyclohexane SCHEMBL28734369 0.82 MAPT (0.57) TDP1ALDH1A1HPGDGAAKDM4E
SCHEMBL4917107 0.81 TDP1 (0.76) TDP1ALDH1A1HPGDGAAKDM4E

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-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests BASF AKITENGESELLSCHAFT (DE) 2008-07-17 US claimed
US-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests BASF AKITENGESELLSCHAFT (DE) 2008-07-17 US disclosed
EP-1861369-A1 NICOTINANILIDES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME FOR PREVENTION OF FUNGAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2007-12-05 EP disclosed
WO-2006097490-A1 NICOTINANILIDES METHOD FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME FOR PREVENTION OF FUNGAL PESTS BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 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 (1 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-20080171774-A1 Nicotinanilides, Method for Production Thereof and Agents Comprising the Same for Prevention of Fungal Pests CBR3, CBR1, NNMT TDP1 3012/4885ALDH1A1 3334/4885HPGD 2124/4885

“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.