SCHEMBL205577

SCHEMBL205577

Fc1ccc(Nc2nc(-c3cccnc3)cs2)c(F)c1F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.64
MEN1 O00255 7/20 0.64
KMT2A Q03164 7/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 3/20 0.64
NPC1 O15118 8/20 0.62
TDP1 Q9NUW8 2/20 0.62
ALDH1A1 P00352 2/20 0.62
POLB P06746 2/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPK1 P28482 1/20 0.62
GAA P10253 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
VCP P55072 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A1 P04798 1/20 0.55

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
SCHEMBL19839869 0.84 RAB9A (0.70) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7113430 0.83 NPY5R (0.57) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7679868 0.82 MAPK1 (0.82) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL207846 0.81 NPC1 (0.61) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL206891 0.80 KIT (0.59) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL18083891 0.78 MEN1 (1.00) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5022813 0.77 MEN1 (0.80) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL22560267 0.77 MAPK1 (1.00) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL14053588 0.77 NPC1 (0.73) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL12297765 0.76 CCR4 (0.76) RAB9AMEN1KMT2ASMN1; SMN2MAPT

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
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885MEN1 3862/4885KMT2A 3476/4885

“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.