SCHEMBL2834359

SCHEMBL2834359

CC(=O)Cn1nnc(-c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)ccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 7/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 3/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 4/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.34
XPO1 O14980 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
KCNJ6 P48051 2/20 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
SCHEMBL2833844 0.93 NPC1 (0.39) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL1573784 0.92 NPC1 (0.39) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2842333 0.90 MEN1 (0.39) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2834363 0.89 BRD9 (0.34) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2841614 0.86 KDM4E (0.32) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2834947 0.86 DDX3X (0.36) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2835883 0.85 NPC1 (0.32) NPC1RAB9AHPGDL3MBTL1
SCHEMBL2836109 0.85 KMT2A (0.40) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL2837070 0.85 ESR1 (0.40) NPC1RAB9AHPGDL3MBTL1ALDH1A1
SCHEMBL2842393 0.85 XPO1 (0.32) NPC1RAB9AHPGDL3MBTL1POLB

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
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 US claimed
US-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US disclosed
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 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-20060025591-A1 New uracils having a herbicidal activity UNG, DDT, UMPS NPC1 4643/4885RAB9A 2151/4885HPGD 2001/4885

“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.