SCHEMBL206672

SCHEMBL206672

CCCCCCCOc1ccc(Nc2nc(-c3nc4ccccc4s3)cs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 5/20 0.52
ATP4B P51164 5/20 0.52
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
NFKB1 P19838 5/20 0.46
NFKB2 Q00653 5/20 0.46
RELA Q04206 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 2/20 0.46
ALOX5 P09917 3/20 0.46
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 1/20 0.45
GAA P10253 2/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL206547 1.00 ATP4A (0.52) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL207091 0.83 RAB9A (0.66) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL205670 0.81 SAE1 (0.43) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL205847 0.81 ATP4A (0.60) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL206048 0.81 MAPT (0.62) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL205469 0.81 MAPT (0.62) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL205471 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL207273 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL206163 0.79 MEN1 (0.55) MEN1KMT2ANPC1RAB9ANFKB1
SCHEMBL248273 0.79 AMY1A (0.69) MEN1KMT2ANPC1RAB9ANFKB1

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 ATP4A 977/4885ATP4B 1788/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ATP4A 977/4885ATP4B 1788/4885MEN1 3862/4885

“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.