SCHEMBL4389686

SCHEMBL4389686

Oc1cnc(-c2c(F)cccc2F)nc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAP4K1 Q92918 6/20 0.37
TTR P02766 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
THRB P10828 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
MAPK13 O15264 1/20 0.33
GCGR P47871 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALOX5AP P20292 1/20 0.33

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
SCHEMBL4389561 0.77 NPC1 (0.58) PTGESNPC1RAB9ANFKB1NFKB2
SCHEMBL4395916 0.73 MEN1 (0.55) PTGESNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL6270045 0.72 PTGES (0.44) PTGESNPC1RAB9ANFKB1NFKB2
SCHEMBL12277332 0.70 PTGES (0.40) PTGESNPC1RAB9ANFKB1NFKB2
SCHEMBL7483606 0.70 PTGES (0.43) PTGESNPC1RAB9ANFKB1NFKB2
SCHEMBL6266823 0.69 PTGES (0.44) PTGESNPC1RAB9ANFKB1NFKB2
SCHEMBL2523479 0.68 TTR (0.52) PTGESNPC1RAB9ATTRMEN1
SCHEMBL1710267 0.68 METAP2 (0.42) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL27280921 0.68 KMT2A (0.53) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL6271045 0.66 ADORA2A (0.45) PTGESNPC1RAB9ANFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175407-B1 PESTICIDAL PYRIMIDINE-DERIVATIVES NOVARTIS AG (CH) 2009-12-09 EP disclosed
US-6686469-B2 TREATMENT FOR PLANT PROPAGATION MATERIAL FOR PARASITICIDES NOVARTIS ANIMAL HEALTH US, INC. 2004-02-03 US disclosed
US-20030004347-A1 Pesticidal pyrimidine-derivatives NOVARTIS ANIMAL HEALTH US, INC. 2003-01-02 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-20030004347-A1 Pesticidal pyrimidine-derivatives CTRC, HCN1, DDT PTGES 2592/4885NPC1 2584/4885RAB9A 2202/4885

“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.