SCHEMBL207233

SCHEMBL207233

COc1cc(Nc2nc(-c3cccnc3)cs2)cc(OC)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.83
KMT2A Q03164 11/20 0.83
RAB9A P51151 8/20 0.83
NPC1 O15118 7/20 0.83
MAPT P10636 6/20 0.69
LMNA P02545 2/20 0.69
ALDH1A1 P00352 2/20 0.69
ALOX12 P18054 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MAPK1 P28482 2/20 0.68
CYP1A1 P04798 4/20 0.67
CYP1B1 Q16678 4/20 0.67
CYP1A2 P05177 3/20 0.67
GAA P10253 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.66
CASP3 P42574 1/20 0.65
SENP8 Q96LD8 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
PKM P14618 2/20 0.62

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
SCHEMBL206542 0.89 MEN1 (0.78) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL1891345 0.86 CYP1B1 (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL206240 0.84 MEN1 (0.73) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7540052 0.82 MAPK1 (0.84) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL22560267 0.82 MAPK1 (1.00) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL14054287 0.81 RAB9A (0.84) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL7679868 0.81 MAPK1 (0.82) MEN1KMT2ARAB9ANPC1MAPT
Bromide SCHEMBL7691671 0.81 MAPK1 (0.82) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL28720665 0.81 CYP1B1 (1.00) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL207487 0.81 MAPK1 (0.68) MEN1KMT2ARAB9ANPC1MAPT

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 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 MEN1 3862/4885KMT2A 3476/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885RAB9A 1357/4885

“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.