SCHEMBL207091

SCHEMBL207091

CCCCCCCCOc1ccc(Nc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.66
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
MAPT P10636 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
ALOX5 P09917 4/20 0.66
GAA P10253 3/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
RECQL P46063 1/20 0.66
NPC1 O15118 5/20 0.59
ALDH1A1 P00352 2/20 0.59
MCL1 Q07820 1/20 0.59
STAT1 P42224 1/20 0.57
PTGS2 P35354 3/20 0.56
AMY1A P0DUB6 1/20 0.56
VCP P55072 1/20 0.56
ATP4A P20648 7/20 0.55
ATP4B P51164 7/20 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
SCHEMBL1819321 0.96 RAB9A (0.70) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL205847 0.91 ATP4A (0.60) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206383 0.91 RAB9A (0.60) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206286 0.91 RAB9A (0.60) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL205162 0.90 PTGS2 (0.73) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL207938 0.90 PTGS2 (0.73) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL249562 0.89 ALOX5 (0.77) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL206982 0.89 ALOX5 (0.60) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL208684 0.89 ALOX5 (0.60) RAB9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL207205 0.89 ALOX5 (0.60) RAB9AMEN1KMT2AMAPTSMN1; 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 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-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 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.