SCHEMBL4927640

SCHEMBL4927640

O=C(Nc1ccccc1-c1cc(F)c(F)cc1F)c1cccnc1Cl

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
GAA P10253 1/20 0.53
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 2/20 0.46
GRM4 Q14833 2/20 0.46

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
SCHEMBL4932028 0.88 TDP1 (0.62) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4928364 0.88 TDP1 (0.69) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4927155 0.88 TDP1 (0.65) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4917107 0.86 TDP1 (0.76) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4922461 0.85 KMT2A (0.55) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4922044 0.84 TDP1 (0.70) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4926721 0.83 KDM4E (0.46) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4921129 0.82 TDP1 (0.74) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4930719 0.82 TDP1 (0.71) TDP1ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL7179988 0.81 TDP1 (0.81) TDP1ALDH1A1HPGDL3MBTL1KDM4E

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.