SCHEMBL206449

SCHEMBL206449

CCCCCCCc1ccc(Nc2nc(Cc3cccnc3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB2 P07550 4/20 0.49
ADRB1 P08588 4/20 0.49
ADRB3 P13945 4/20 0.49
TRPV1 Q8NER1 7/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL206453 0.88 ADRB3 (0.59) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL206117 0.87 NPC1 (0.53) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL2697570 0.85 RAB9A (0.46) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL207304 0.83 MEN1 (0.42) TDP1L3MBTL1ADRB2ADRB1ADRB3
SCHEMBL206347 0.82 ADRB2 (0.48) ADRB2ADRB1ADRB3ALDH1A1MAPT
SCHEMBL205525 0.82 MEN1 (0.65) TDP1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL207008 0.82 MEN1 (0.65) TDP1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL206136 0.82 MEN1 (0.65) TDP1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL205189 0.81 MEN1 (0.66) TDP1ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL2697517 0.77 BRAF (0.36) TDP1L3MBTL1ADRB2ADRB1ADRB3

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 9 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-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 TDP1 1045/4885L3MBTL1 479/4885ADRB2 1337/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 TDP1 1045/4885L3MBTL1 479/4885ADRB2 1337/4885

“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.