SCHEMBL205950

SCHEMBL205950

Fc1cc(Nc2nc(-c3cnccn3)cs2)ccc1OCCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.42
PTGES O14684 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NR1I2 O75469 1/20 0.41
NFKB1 P19838 1/20 0.41
PPP1CA P62136 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CA12 O43570 1/20 0.39

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
SCHEMBL207714 0.89 NPY5R (0.43) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL205176 0.88 MEN1 (0.55) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL206880 0.85 MEN1 (0.56) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL207141 0.78 HDAC8 (0.44) MAPTPTGESCSNK2A2CSNK2BMEN1
SCHEMBL3125946 0.78 RAB9A (0.50) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL207676 0.78 MAPT (0.53) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL206501 0.78 MEN1 (0.63) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL208317 0.77 RAB9A (0.51) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL206700 0.77 NPY5R (0.42) MAPTRAB9ANPC1SMN1; SMN2HTT
SCHEMBL205574 0.76 MEN1 (0.53) MAPTRAB9ANPC1SMN1; SMN2MEN1

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 6 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 claimed
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-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 MAPT 2207/4885RAB9A 1357/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885RAB9A 1357/4885NPC1 62/4885

“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.