SCHEMBL4965324

SCHEMBL4965324

Nc1sc(-c2ccccc2)cc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 6/20 0.49
GFER P55789 1/20 0.49
IKBKB O14920 6/20 0.49
ADORA1 P30542 1/20 0.46
ALOX15 P16050 6/20 0.46
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
BTK Q06187 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPRF P10586 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL16750169 0.74 GAA (0.54) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL5491089 0.70 ALDH1A1 (0.58) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL27859886 0.70 GAA (0.50) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL28359880 0.70 GAA (0.70) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL11644064 0.69 JAK2 (0.69) IKBKB
Formamide SCHEMBL28359882 0.69 GAA (0.87) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL15681582 0.68 MAPT (0.52) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL20862830 0.67 IKBKB (0.56) MEN1KMT2AMAPTIKBKBCYP1A2
SCHEMBL28229746 0.67 GAA (0.55) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL2652713 0.67 GAA (0.50) GAAALDH1A1MEN1KMT2AHPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436279-B8 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-10-29 EP disclosed
EP-1436279-B1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-08-13 EP disclosed
US-7179836-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-02-20 US disclosed
EP-1436279-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2005-10-26 EP disclosed
US-20040192941-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-09-30 US disclosed
EP-1436279-A1 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2004-07-14 EP disclosed
WO-2003027093-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-04-03 WO disclosed
US-5120872-A Textile dyeing CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4994563-A Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness CIBA-GEIGY CORPORATION (US) 1991-02-19 US disclosed
EP-0349486-A2 Azo dyes, their preparation and their use CIBA-GEIGY AG (CH) 1990-01-03 EP 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 (1 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-20040192941-A1 Chemical compounds TPMT, TST, CYP11B2 GAA 254/4885ALDH1A1 165/4885MEN1 1219/4885

“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.