SCHEMBL4389561

SCHEMBL4389561

Fc1cccc(F)c1-c1ncc(-c2ccc(Br)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
PTGES O14684 2/20 0.48
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
TTR P02766 1/20 0.37
CASP3 P42574 1/20 0.35

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
SCHEMBL20654333 0.83 NPC1 (0.59) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12277332 0.83 PTGES (0.40) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6270045 0.80 PTGES (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL7483606 0.78 PTGES (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6266823 0.77 PTGES (0.44) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4389686 0.77 PTGES (0.41) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2523479 0.76 TTR (0.52) NPC1RAB9APTGESALDH1A1MEN1
SCHEMBL4391246 0.76 TYK2 (0.45) NPC1RAB9AALDH1A1KDM4EMAPT
SCHEMBL4395916 0.75 MEN1 (0.55) NPC1RAB9ASMN1; SMN2PTGESALDH1A1
SCHEMBL3781325 0.73 NPC1 (1.00) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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 5 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
EP-1175407-A1 PESTICIDAL PYRIMIDINE-DERIVATIVES Syngenta Participations AG (CH) 2002-01-30 EP disclosed
WO-2000066565-A1 PESTICIDAL PYRIMIDINE-DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-11-09 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-20030004347-A1 Pesticidal pyrimidine-derivatives CTRC, HCN1, DDT NPC1 2584/4885RAB9A 2202/4885SMN1; SMN2 1456/4885

“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.