SCHEMBL249661

SCHEMBL249661

CCCCCCCOc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.59
MEN1 O00255 7/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
ALOX5 P09917 1/20 0.59
MAPT P10636 9/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 3/20 0.56
GAA P10253 4/20 0.55
GFER P55789 1/20 0.55
KDM4E B2RXH2 1/20 0.54
STAT3 P40763 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
JAK2 O60674 4/20 0.54
HDAC6 Q9UBN7 4/20 0.54
NFKB1 P19838 1/20 0.53
STAT1 P42224 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 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
SCHEMBL250646 0.88 ALOX5 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL248227 0.88 CSNK2A1 (0.70) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL249562 0.87 ALOX5 (0.77) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL207938 0.86 PTGS2 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL205162 0.86 PTGS2 (0.73) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL253019 0.85 PTPN12 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL207205 0.85 ALOX5 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL206982 0.85 ALOX5 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL208684 0.85 ALOX5 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL208663 0.85 ALOX5 (0.60) KMT2AMEN1NPC1RAB9ASMN1; 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 KMT2A 3476/4885MEN1 3862/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KMT2A 3476/4885MEN1 3862/4885NPC1 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.