SCHEMBL251202

SCHEMBL251202

CCCCCOc1ccc(Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 1/20 0.55
KMT2A Q03164 12/20 0.54
MEN1 O00255 11/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MAPT P10636 11/20 0.52
MAPK1 P28482 4/20 0.52
ALDH1A1 P00352 6/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 5/20 0.50
GFER P55789 2/20 0.50
KDM4E B2RXH2 1/20 0.50
STAT3 P40763 1/20 0.50
NFKB1 P19838 1/20 0.49
STAT1 P42224 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL251456 0.89 CSNK2A1 (0.56) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL250514 0.88 SIRT5 (0.52) SIRT5KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL207054 0.86 MAPT (0.54) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL205496 0.86 PTGES (0.46) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL10244242 0.84 PTGES (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL249661 0.84 KMT2A (0.59) SIRT5KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL206360 0.83 MEN1 (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL207768 0.82 MEN1 (0.60) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL205267 0.82 CYP1A1 (0.53) KMT2AMEN1NPC1RAB9AALOX5
SCHEMBL206967 0.82 PTGES (0.45) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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 SIRT5 706/4885KMT2A 3476/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SIRT5 706/4885KMT2A 3476/4885MEN1 3862/4885

“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.