SCHEMBL205469

SCHEMBL205469

CCCCCCCOc1ccc(Nc2nc(-c3ccccn3)cs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
KMT2A Q03164 4/20 0.62
PPP1CA P62136 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MEN1 O00255 3/20 0.62
NFKB1 P19838 3/20 0.62
NFKB2 Q00653 3/20 0.62
RELA Q04206 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
NR1I2 O75469 1/20 0.62
NR4A1 P22736 1/20 0.60
VCP P55072 1/20 0.60
NPY5R Q15761 2/20 0.57
CSNK2A1 P68400 1/20 0.56
ALDH1A1 P00352 2/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53

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
SCHEMBL206048 1.00 MAPT (0.62) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL207273 0.92 MEN1 (0.51) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL205471 0.92 MEN1 (0.51) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL13390220 0.87 KMT2A (0.69) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL207574 0.87 MEN1 (0.57) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL207091 0.86 RAB9A (0.66) MAPTKMT2ASMN1; SMN2MEN1NFKB1
SCHEMBL206259 0.85 MAPT (0.63) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL206699 0.85 MAPT (0.63) MAPTKMT2APPP1CASMN1; SMN2MEN1
SCHEMBL206163 0.85 MEN1 (0.55) MAPTKMT2ASMN1; SMN2MEN1NFKB1
SCHEMBL205847 0.85 ATP4A (0.60) MAPTKMT2ASMN1; SMN2MEN1NFKB1

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 11 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-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 MAPT 2207/4885KMT2A 3476/4885PPP1CA 3496/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MAPT 2207/4885KMT2A 3476/4885PPP1CA 3496/4885

“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.