SCHEMBL4411219

SCHEMBL4411219

CN(C)c1ccc(/N=N/c2ccc(NCCS(=O)(=O)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.49
CA2 P00918 5/20 0.49
RAB9A P51151 5/20 0.49
KMT2A Q03164 5/20 0.49
CA9 Q16790 4/20 0.49
MEN1 O00255 4/20 0.49
CA12 O43570 3/20 0.49
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
F2 P00734 3/20 0.45
PRSS1 P07477 3/20 0.45
PRSS2 P07478 3/20 0.45
PRSS3 P35030 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4411222 1.00 NPC1 (0.49) NPC1CA2RAB9AKMT2ACA9
SCHEMBL4408051 0.87 CA2 (0.55) NPC1CA2RAB9AKMT2ACA9
SCHEMBL4408049 0.87 CA2 (0.55) NPC1CA2RAB9AKMT2ACA9
SCHEMBL4410521 0.81 MAPT (0.50) NPC1CA2RAB9AKMT2ACA9
SCHEMBL13596488 0.81 MAPT (0.50) NPC1CA2RAB9AKMT2ACA9
SCHEMBL4410524 0.81 MAPT (0.50) NPC1CA2RAB9AKMT2ACA9
SCHEMBL4563327 0.80 MAPT (0.49) NPC1CA2RAB9AKMT2ACA9
SCHEMBL22047509 0.75 MAPK1 (0.46) NPC1CA2RAB9AKMT2ACA9
SCHEMBL7764334 0.73 NPC1 (0.69) NPC1CA2RAB9AKMT2ACA9
SCHEMBL7764335 0.73 NPC1 (0.69) NPC1CA2RAB9AKMT2ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO claimed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US claimed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
US-20090318563-A1 Nematicidal Compositions and Methods DIVERGENCE, INC. 2009-12-24 US disclosed
WO-2006060654-A2 PESTICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2006-06-08 WO disclosed
US-20050203067-A1 Pesticidal compositions and methods DIVERGENCE, INC. 2005-09-15 US disclosed
US-20040254150-A1 Nematicidal compositions and methods DIVERGENCE, INC. 2004-12-16 US disclosed
WO-2004103070-A2 NEMATICIDAL COMPOSITIONS AND METHODS DIVERGENCE, INC. (US) 2004-12-02 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 (3 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-20040254150-A1 Nematicidal compositions and methods NISCH, PNMT, ATL3 NPC1 1172/4885CA2 3445/4885RAB9A 2186/4885
US-20050203067-A1 Pesticidal compositions and methods ACHE, DDT, PTMS NPC1 2048/4885CA2 701/4885RAB9A 1509/4885
US-20090318563-A1 Nematicidal Compositions and Methods NISCH, PNMT, HNMT NPC1 1160/4885CA2 3350/4885RAB9A 2156/4885

“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.