SCHEMBL207270

SCHEMBL207270

CCCCOc1ccc(CNc2nc(-c3cccnc3)cs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 3/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP19A1 P11511 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CYP1A2 P05177 1/20 0.53
NPY5R Q15761 1/20 0.52

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
SCHEMBL204418 0.88 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL206385 0.85 MEN1 (0.83) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL206156 0.84 ALDH1A1 (0.80) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL204346 0.83 MEN1 (0.80) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL205058 0.82 MEN1 (0.78) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL205300 0.82 MEN1 (0.78) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL205584 0.82 MEN1 (0.78) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL206769 0.82 ALDH1A1 (0.90) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL205918 0.82 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1KMT2AMEN1
SCHEMBL27789514 0.80 ALDH1A1 (0.55) ALDH1A1RAB9ANPC1KMT2AMEN1

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 ALDH1A1 109/4885RAB9A 1357/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885RAB9A 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.