SCHEMBL206404

SCHEMBL206404

CCCCCCCCOc1ccc(Nc2nc(CN3CCOCC3)cs2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
HRH3 Q9Y5N1 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
SCN1A P35498 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN2A Q99250 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
SCN3A Q9NY46 1/20 0.48
LMNA P02545 4/20 0.47
USP2 O75604 2/20 0.47
GAA P10253 1/20 0.47
THRB P10828 2/20 0.46
THRA P10827 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL205512 0.87 HRH3 (0.45) ALDH1A1HRH3NPC1RAB9AMAPT
SCHEMBL250502 0.86 RAB9A (0.54) ALDH1A1HRH3GAANPC1RAB9A
SCHEMBL2699863 0.85 HRH1 (0.49) ALDH1A1GAANPC1RAB9AMAPT
SCHEMBL250489 0.85 SPHK1 (0.45) ALDH1A1HRH3CHRM1HTR2AGAA
SCHEMBL10190843 0.85 MAPT (0.46) ALDH1A1GAATHRBTHRANPC1
SCHEMBL206370 0.84 RAB9A (0.46) HRH3KCNH2LMNAGAANPC1
SCHEMBL205781 0.83 NPC1 (0.41) ALDH1A1HRH3LMNAGAANPC1
SCHEMBL2695458 0.83 S1PR5 (0.52) ALDH1A1HRH3GAANPC1RAB9A
SCHEMBL251744 0.83 SPHK1 (0.47) ALDH1A1HRH3GAARAB9AMAPT
SCHEMBL205686 0.82 LMNA (0.49) ALDH1A1HRH3LMNA

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 ALDH1A1 109/4885MAPK1 2390/4885HRH3 1390/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885MAPK1 2390/4885HRH3 1390/4885

“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.