SCHEMBL206769

SCHEMBL206769

c1ccc(-c2ccc(CNc3nc(-c4cccnc4)cs3)cc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.90
RAB9A P51151 9/20 0.70
NPC1 O15118 6/20 0.70
MAPT P10636 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
HPGD P15428 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP19A1 P11511 1/20 0.58
MAPK1 P28482 2/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TDP1 Q9NUW8 2/20 0.55

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
SCHEMBL206156 0.89 ALDH1A1 (0.80) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL205954 0.89 ALDH1A1 (0.84) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL211074 0.88 ALDH1A1 (0.78) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL204418 0.84 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL211587 0.83 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL205918 0.83 ALDH1A1 (0.69) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19851055 0.82 RAB9A (1.00) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1820346 0.82 ALDH1A1 (0.76) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL207270 0.82 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL19851081 0.79 ALDH1A1 (0.83) ALDH1A1RAB9ANPC1MAPTSMN1; 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 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.