SCHEMBL250030

SCHEMBL250030

CCCCCOc1ccc(Nc2nc(CN3CCCC(C(=O)N(CC)CC)C3)cs2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.42
BCHE P06276 3/20 0.42
HTT P42858 1/20 0.41
MAPT P10636 2/20 0.40
S1PR5 Q9H228 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
EPHX2 P34913 1/20 0.38
ADRA2B P18089 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL248422 0.91 S1PR5 (0.49) KDM4EBCHEMAPTS1PR5GAA
SCHEMBL205846 0.85 LMNA (0.46) KDM4EALDH1A1POLBBCHEMAPT
SCHEMBL2698483 0.85 CDK4 (0.44) RAB9AALDH1A1MAPTS1PR5GAA
SCHEMBL248468 0.83 SPHK1 (0.43) RAB9AALDH1A1MAPTS1PR5GAA
SCHEMBL205155 0.82 S1PR5 (0.47) KDM4EALDH1A1BCHEMAPTS1PR5
SCHEMBL251178 0.82 HRH3 (0.44) MAPTS1PR5
SCHEMBL254052 0.81 SMN1; SMN2 (0.47) KDM4ERAB9AALDH1A1POLBMAPT
SCHEMBL250069 0.80 MEN1 (0.37) KDM4EALDH1A1MAPTS1PR5
SCHEMBL250213 0.80 MEN1 (0.39) MAPTS1PR5
SCHEMBL250212 0.80 MEN1 (0.39) MAPTS1PR5

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 KDM4E 2649/4885RAB9A 1357/4885ALDH1A1 109/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 KDM4E 2649/4885RAB9A 1357/4885ALDH1A1 109/4885

“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.