SCHEMBL205706

SCHEMBL205706

CCCCCCCCN(C)c1ccc(Nc2nc(-c3sc(-c4cnccn4)nc3C)cs2)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.40
KMT2A Q03164 12/20 0.40
MAPT P10636 8/20 0.40
ALDH1A1 P00352 7/20 0.40
ALOX12 P18054 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 4/20 0.39
TRPV4 Q9HBA0 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.38
NPC1 O15118 4/20 0.38
CFTR P13569 1/20 0.37
RAB9A P51151 3/20 0.37
GFER P55789 1/20 0.37
CLEC4M Q9H2X3 1/20 0.36

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
SCHEMBL206934 0.86 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL205905 0.85 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL2699866 0.80 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL206655 0.80 NPY5R (0.54) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL2696740 0.79 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL206047 0.79 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL206872 0.79 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL208687 0.79 NPY5R (0.46) MEN1KMT2AMAPTNPSR1SMN1; SMN2
SCHEMBL204642 0.78 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1ALOX12
SCHEMBL2695452 0.78 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1ALOX12

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 MEN1 3862/4885KMT2A 3476/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885KMT2A 3476/4885MAPT 2207/4885

“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.