SCHEMBL5517415

SCHEMBL5517415

NC(=O)c1ccccc1C(F)F.OBO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
METAP2 P50579 1/20 0.42
BCAT2 O15382 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
CTNNB1 P35222 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
PDPK1 O15530 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL5134567 0.94 KDM4E (0.50) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL4431290 0.78 KDM4E (0.47) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL3348026 0.78 IRAK4 (0.50) KDM4EALDH1A1MAPTHPGDTSHR
Hydrochloric Acid SCHEMBL27491871 0.77 KDM4E (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL27909777 0.76 BCAT2 (0.44) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL30281127 0.75 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL465752 0.75 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL31632660 0.75 IRAK4 (0.55) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL105262 0.75 IRAK4 (0.55) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL25209513 0.74 CTSD (0.50) KDM4EALDH1A1MAPTGAAPRMT5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 US claimed
US-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof BAYER CORPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-04-12 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 (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-20070082877-A1 Difluoromethylbenzanilides and use thereof for combating micro-organisms, intermediate products and use thereof FBL, Q6ZSR9, DDT KDM4E 2582/4885ALDH1A1 380/4885MAPT 4244/4885

“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.