SCHEMBL3604259

SCHEMBL3604259

O=C(O)c1csc(NC(=O)c2ccccc2F)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.70
NPC1 O15118 7/20 0.70
KMT2A Q03164 6/20 0.70
MEN1 O00255 5/20 0.70
ROCK1 Q13464 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.61
KDM4E B2RXH2 2/20 0.61
LMNA P02545 1/20 0.61
PDE5A O76074 1/20 0.60
P4HTM Q9NXG6 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
RXFP1 Q9HBX9 2/20 0.52
HTT P42858 3/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL3603343 0.88 NPC1 (0.64) RAB9ANPC1KMT2AMEN1ROCK1
SCHEMBL3610516 0.83 ALDH1A1 (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL6674208 0.82 RAB9A (0.57) RAB9ANPC1KMT2AMEN1ROCK1
SCHEMBL3602966 0.81 RAB9A (0.71) RAB9ANPC1KMT2AMEN1ROCK1
SCHEMBL3603304 0.81 NPC1 (0.68) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL16789307 0.80 MME (0.61) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL15541991 0.80 CSNK1E (0.60) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL798484 0.78 NPC1 (0.55) RAB9ANPC1KMT2AMEN1ROCK1
SCHEMBL13357590 0.77 ROCK1 (1.00) RAB9ANPC1KMT2AMEN1ROCK1
SCHEMBL3604622 0.77 KDM4E (0.59) RAB9ANPC1KMT2AMEN1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
US-7799738-B2 Insecticidal 2-acylaminothiazole-4-carboxamides BAYER CROPSCIENCE AG (DE) 2010-09-21 US disclosed
CN-101405278-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-04-08 CN disclosed
US-20080300136-A1 Insecticidal 2-Acylaminothiazole-4-Carboxamides BAYER CROPSCIENCE AG (DE) 2008-12-04 US disclosed
EP-1963290-A1 INSECTICIDAL 2 -ACYLAMINOTHIAZOLE-4 -CARBOXAMIDES Bayer CropScience Aktiengesellschaft (DE) 2008-09-03 EP disclosed
CN-101233119-A Novel heterocyclic nf-kb inhibitors 4SC AG (DE) 2008-07-30 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed
WO-2007051560-A1 INSECTICIDAL 2 -ACYLAMINOTHIAZOLE-4 -CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-05-10 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-20080300136-A1 Insecticidal 2-Acylaminothiazole-4-Carboxamides AADAC, HDHD5, HRH4 RAB9A 2239/4885NPC1 2323/4885KMT2A 426/4885

“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.