SCHEMBL205694

SCHEMBL205694

c1ccc(Oc2cccc(CCNc3nc(-c4cccnc4)cs3)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
NPC1 O15118 7/20 0.76
ALDH1A1 P00352 5/20 0.76
MAPT P10636 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ROCK2 O75116 1/20 0.49
AURKB Q96GD4 1/20 0.49
NPY5R Q15761 1/20 0.48
POLB P06746 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
SCHEMBL206058 0.91 RAB9A (0.81) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19851055 0.87 RAB9A (1.00) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL19851081 0.85 ALDH1A1 (0.83) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL206156 0.82 ALDH1A1 (0.80) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL208128 0.80 MEN1 (0.78) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL205954 0.77 ALDH1A1 (0.84) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL27754680 0.77 MAPT (0.79) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12297556 0.76 HTT (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL206711 0.76 MEN1 (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
Fanetizole SCHEMBL1813401 0.76 GAA (0.86) RAB9ANPC1ALDH1A1MAPTSMN1; 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 1357/4885NPC1 62/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885NPC1 62/4885ALDH1A1 109/4885

“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.