SCHEMBL206383

SCHEMBL206383

CCCCCCCOc1ccc(Nc2nc(-c3ccncc3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
MAPT P10636 9/20 0.60
NPC1 O15118 8/20 0.60
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
ALOX5 P09917 4/20 0.60
SMN1; SMN2 Q16637 5/20 0.56
PTGS2 P35354 2/20 0.56
VCP P55072 2/20 0.56
ESR1 P03372 1/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53

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
SCHEMBL206286 1.00 RAB9A (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL207091 0.91 RAB9A (0.66) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL205162 0.90 PTGS2 (0.73) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL207938 0.90 PTGS2 (0.73) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL249562 0.89 ALOX5 (0.77) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL207338 0.89 MEN1 (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL208663 0.89 ALOX5 (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL207205 0.89 ALOX5 (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL206982 0.89 ALOX5 (0.60) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL206619 0.89 ALOX5 (0.60) RAB9AMAPTNPC1MEN1KMT2A

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 10 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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-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 RAB9A 1357/4885MAPT 2207/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885MAPT 2207/4885NPC1 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.