SCHEMBL2861582

SCHEMBL2861582

O=C(NNC1=NCCCCC1)c1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
SMN1; SMN2 Q16637 3/20 0.64
ALDH1A1 P00352 5/20 0.56
GAA P10253 5/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GFER P55789 1/20 0.48
F2 P00734 1/20 0.47
KMT2A Q03164 3/20 0.46
ALPL P05186 1/20 0.45
ALPI P09923 1/20 0.45
ALPG P10696 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 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
SCHEMBL2992234 0.73 HPGD (0.76) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL28655711 0.70 GAA (0.62) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL2989424 0.67 ALDH1A1 (0.71) HPGDSMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL30825401 0.66 ALDH1A1 (0.67) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL28660387 0.65 PTGS2 (0.61) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL28640185 0.65 SMN1; SMN2 (0.61) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL15103340 0.65 SMN1; SMN2 (0.61) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL8372435 0.63 POLB (0.78) HPGDSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL11013579 0.63 GAA (0.52) HPGDALDH1A1GAANPC1RAB9A
SCHEMBL3456445 0.63 ALDH1A1 (0.73) HPGDSMN1; SMN2ALDH1A1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS, LLC (US) 2010-08-05 US disclosed
US-7723323-B2 Pharmaceutical use of fused 1,2,4-triazoles HIGH POINT PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
EP-1615647-B1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HIGH POINT PHARMACEUTICALS LLC (US) 2010-01-20 EP disclosed
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles NOVO NORDISK A/S (DK) 2008-06-26 US disclosed
US-7358238-B2 Pharmaceutical use of fused 1,2,4-triazoles NOVO NORDISK A/S (DK) 2008-04-15 US disclosed
EP-1785424-A2 Fused 1,2,4-triazoles and pharmaceutical uses thereof NOVO NORDISK A/S (DK) 2007-05-16 EP disclosed
US-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles NOVO NORDISK A/S (DK) 2006-05-18 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 (3 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-20060106008-A1 Pharmaceutical use of fused 1,2,4-triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885SMN1; SMN2 4244/4885ALDH1A1 166/4885
US-20080153807-A1 Pharmaceutical Use of Fused 1,2,4-Triazoles HSD3B1, HSD11B1, HSD11B2 HPGD 63/4885SMN1; SMN2 4244/4885ALDH1A1 166/4885
US-20100197658-A1 PHARMACEUTICAL USE OF FUSED 1,2,4-TRIAZOLES HSD3B1, HSD11B2, HSD3B2 HPGD 71/4885SMN1; SMN2 3886/4885ALDH1A1 528/4885

“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.