SCHEMBL205681

SCHEMBL205681

CCCCCOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.54
RAB9A P51151 8/20 0.53
NPC1 O15118 7/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPY5R Q15761 1/20 0.53
POLB P06746 1/20 0.53
CYP1B1 Q16678 2/20 0.49
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPK1 P28482 1/20 0.49
CFTR P13569 1/20 0.47
PTGS2 P35354 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
GAA P10253 2/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL207120 0.99 ALOX5 (0.53) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL208154 0.90 ALOX5 (0.56) ALOX5RAB9ANPC1MAPTTDP1
SCHEMBL205801 0.89 CYP1A1 (0.54) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL206689 0.89 ALOX5 (0.46) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL208353 0.87 ALOX5 (0.61) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL206783 0.86 MEN1 (0.46) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL208684 0.86 ALOX5 (0.60) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL206619 0.86 ALOX5 (0.60) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL207205 0.86 ALOX5 (0.60) ALOX5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL205809 0.85 AGER (0.52) ALOX5RAB9ANPC1MAPTCYP1B1

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 ALOX5 3410/4885RAB9A 1357/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885RAB9A 1357/4885NPC1 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.