SCHEMBL207318

SCHEMBL207318

CCCCc1ccc(Nc2nc(-c3cccnc3)cs2)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 7/20 0.64
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
GAA P10253 2/20 0.61
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
KIT P10721 7/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MAPK1 P28482 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL206589 0.84 MEN1 (0.67) NPC1RAB9APOLBTDP1GAA
SCHEMBL206828 0.81 RAB9A (0.51) NPC1RAB9APOLBTDP1GAA
SCHEMBL205189 0.81 MEN1 (0.66) NPC1RAB9APOLBTDP1GAA
SCHEMBL12297739 0.80 RAB9A (0.72) NPC1RAB9APOLBTDP1GAA
SCHEMBL205525 0.80 MEN1 (0.65) NPC1RAB9APOLBTDP1GAA
SCHEMBL207008 0.80 MEN1 (0.65) NPC1RAB9APOLBTDP1GAA
SCHEMBL206136 0.80 MEN1 (0.65) NPC1RAB9APOLBTDP1GAA
SCHEMBL204418 0.80 ALDH1A1 (0.72) NPC1RAB9APOLBTDP1GAA
SCHEMBL206745 0.77 MEN1 (0.70) NPC1RAB9APOLBTDP1GAA
SCHEMBL16365487 0.77 GAA (0.73) NPC1RAB9APOLBTDP1GAA

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-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-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-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 NPC1 62/4885RAB9A 1357/4885POLB 2513/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885POLB 2513/4885

“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.