SCHEMBL205847

SCHEMBL205847

CCCCCCCCOc1ccc(Nc2nc(-c3csc(-c4ccccc4)n3)cs2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 14/20 0.60
ATP4B P51164 14/20 0.60
MEN1 O00255 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.55
ALOX5 P09917 3/20 0.55
GAA P10253 2/20 0.55
MAPT P10636 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RECQL P46063 1/20 0.55
NPC1 O15118 2/20 0.53
CYP1A1 P04798 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP1B1 Q16678 2/20 0.50
ALDH1A1 P00352 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL207091 0.91 RAB9A (0.66) ATP4AATP4BMEN1RAB9AKMT2A
SCHEMBL1819321 0.88 RAB9A (0.70) ATP4AATP4BMEN1RAB9AKMT2A
SCHEMBL206048 0.85 MAPT (0.62) MEN1RAB9AKMT2AALOX5MAPT
SCHEMBL205469 0.85 MAPT (0.62) MEN1RAB9AKMT2AALOX5MAPT
SCHEMBL206163 0.83 MEN1 (0.55) MEN1RAB9AKMT2AALOX5GAA
SCHEMBL206286 0.82 RAB9A (0.60) MEN1RAB9AKMT2AALOX5GAA
SCHEMBL206383 0.82 RAB9A (0.60) MEN1RAB9AKMT2AALOX5GAA
SCHEMBL205584 0.82 MEN1 (0.78) ATP4AATP4BMEN1RAB9AKMT2A
SCHEMBL205300 0.82 MEN1 (0.78) ATP4AATP4BMEN1RAB9AKMT2A
SCHEMBL205058 0.82 MEN1 (0.78) ATP4AATP4BMEN1RAB9AKMT2A

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 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.