SCHEMBL205846

SCHEMBL205846

CCCCCOc1ccc(Nc2nc(CN3CCCC(C)C3)cs2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
AXL P30530 3/20 0.37
EGFR P00533 2/20 0.37
MET P08581 1/20 0.37
SRC P12931 1/20 0.37
HRH3 Q9Y5N1 4/20 0.37
POLB P06746 1/20 0.37
MCHR1 Q99705 1/20 0.37
ADRA2B P18089 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ERBB2 P04626 1/20 0.35
EPHA2 P29317 1/20 0.35
KDR P35968 1/20 0.35
EPHB4 P54760 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL250069 0.90 MEN1 (0.37) LMNAAXLMETHRH3MCHR1
SCHEMBL251181 0.90 LMNA (0.43) LMNAAXLHRH3MCHR1ADRA2B
SCHEMBL248422 0.88 S1PR5 (0.49) EGFRADRA2BSLC6A4SLC6A3TMEM97
SCHEMBL2698483 0.87 CDK4 (0.44) EGFRERBB2MEN1MAPTKMT2A
SCHEMBL251178 0.86 HRH3 (0.44) METHRH3KDRMEN1MAPT
SCHEMBL248468 0.85 SPHK1 (0.43) EGFRMETMCHR1ERBB2MEN1
SCHEMBL250030 0.85 KDM4E (0.47) POLBADRA2BSLC6A4SLC6A3TMEM97
SCHEMBL205686 0.85 LMNA (0.49) LMNAHRH3KDM4EALDH1A1
SCHEMBL206395 0.85 S1PR4 (0.38) AXLEGFRMCHR1ERBB2EPHA2
SCHEMBL207524 0.84 MAPT (0.37) AXLEGFRHRH3MCHR1MEN1

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 LMNA 2668/4885GALR2 4758/4885GALR1 3925/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 LMNA 2668/4885GALR2 4758/4885GALR1 3925/4885

“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.