SCHEMBL6330860

SCHEMBL6330860

O=C(NC(=O)c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)C(Cl)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
NPC1 O15118 5/20 0.50
HTT P42858 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MEN1 O00255 1/20 0.50
NPSR1 Q6W5P4 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TRPV1 Q8NER1 4/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
EPHX2 P34913 2/20 0.48
RAB9A P51151 4/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ENPP2 Q13822 1/20 0.46
FAAH O00519 1/20 0.45

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
SCHEMBL10794847 0.81 TDP1 (0.60) TDP1NPC1HTTALDH1A1KMT2A
SCHEMBL515847 0.81 TDP1 (0.80) TDP1NPC1HTTALDH1A1KMT2A
SCHEMBL8662502 0.80 TRPV1 (0.52) TDP1NPC1HTTALDH1A1KMT2A
SCHEMBL9688005 0.80 EPHX2 (0.62) NPC1HTTSMN1; SMN2TRPV1EPHX2
SCHEMBL11555162 0.80 TDP1 (0.52) TDP1NPC1ALDH1A1KMT2AMEN1
SCHEMBL10967880 0.80 PPARA (0.56) TDP1ALDH1A1KMT2ALMNAMAPT
SCHEMBL10795425 0.79 TDP1 (0.51) TDP1NPC1HTTALDH1A1KMT2A
SCHEMBL11553450 0.77 TDP1 (0.46) TDP1NPC1ALDH1A1KMT2AMAPT
SCHEMBL11681835 0.77 EPHX2 (0.57) TDP1NPC1ALDH1A1KMT2AMAPT
SCHEMBL22815834 0.77 TRPV1 (0.76) NPC1HTTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014650-A1 Delta 1-pyrrolines used as pesticides BAYER CROPSCIENCE AG (DE) 2005-01-20 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-20050014650-A1 Delta 1-pyrrolines used as pesticides CHRM1, DDT, CHRND TDP1 562/4885NPC1 4318/4885HTT 2558/4885

“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.