SCHEMBL207431

SCHEMBL207431

COc1ccc(Oc2ccccc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.72
NPC1 O15118 7/20 0.72
GAA P10253 4/20 0.72
MEN1 O00255 9/20 0.71
KMT2A Q03164 9/20 0.71
POLB P06746 3/20 0.71
TDP1 Q9NUW8 1/20 0.57
PTGES O14684 1/20 0.56
MAPT P10636 5/20 0.56
CSNK2A1 P68400 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MAPK1 P28482 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
ALOX12 P18054 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL14054287 0.91 RAB9A (0.84) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL8740257 0.84 MEN1 (0.78) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL14053326 0.84 RAB9A (1.00) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL14059092 0.83 RAB9A (0.78) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL206089 0.83 MEN1 (1.00) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL10190819 0.83 NPC1 (0.70) RAB9ANPC1GAAMEN1KMT2A
Bromide SCHEMBL14054264 0.82 RAB9A (0.76) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL8741770 0.82 MEN1 (0.76) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL206711 0.82 MEN1 (0.71) RAB9ANPC1GAAMEN1KMT2A
SCHEMBL208128 0.81 MEN1 (0.78) RAB9ANPC1GAAMEN1KMT2A

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 9 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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US claimed
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 62/4885GAA 1359/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885NPC1 62/4885GAA 1359/4885

“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.