SCHEMBL3040066

SCHEMBL3040066

O=C(OCCn1c(-c2cccs2)nc2sc3c(c2c1=O)CCC(Br)(Br)C3=O)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
CASP1 P29466 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
CASP7 P55210 2/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 2/20 0.39
HTT P42858 2/20 0.39
HCRTR1 O43613 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDE4D Q08499 2/20 0.37
GLA P06280 2/20 0.37

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
SCHEMBL3021395 0.86 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL3031226 0.85 ALDH1A1 (0.40) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL13176218 0.83 ALDH1A1 (0.38) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL3025652 0.82 SMN1; SMN2 (0.60) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL3041259 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL13886666 0.74 ALDH1A1 (0.37) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL2918071 0.73 ALDH1A1 (0.51) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL2920448 0.72 ALDH1A1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL2920118 0.69 SMN1; SMN2 (0.66) ALDH1A1KDM4ELMNASMN1; SMN2CASP1
SCHEMBL2926116 0.68 MAPT (0.41) ALDH1A1KDM4ELMNAMAPTTP53

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
EP-1635839-B1 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-01 EP disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
EP-1635839-A2 BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY Solvay Pharmaceuticals B.V. (NL) 2006-03-22 EP disclosed
US-20050176742-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-11 US disclosed
WO-2005032527-A2 BENZO (4, 5) THIENO (2, 3-D) PYRIMIDIN-4-ONES AND THEIR USE IN THERAPY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-04-14 WO disclosed
US-20050038053-A1 Novel compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2005-02-17 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-20050176742-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 ALDH1A1 229/4885KDM4E 2665/4885LMNA 4510/4885
US-20050038053-A1 Novel compounds and their use in therapy HSD17B11, HSD17B2, HSD17B1 ALDH1A1 229/4885KDM4E 2665/4885LMNA 4510/4885

“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.