SCHEMBL14956704

SCHEMBL14956704

NC1=NC(CCCCCc2cn(CC(=O)Nc3ccccc3)nn2)C=N1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.44
▸ SRC P12931 2/20 0.43
▸ ITGAV P06756 4/20 0.41
▸ ITGB5 P18084 4/20 0.41
▸ ITGB3 P05106 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ FOLH1 Q04609 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ MGAM O43451 1/20 0.39

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
Hydrochloric Acid SCHEMBL14956415 0.82 HDAC1 (0.42) ITGAVITGB5ITGB3HDAC1MGAM
SCHEMBL1760609 0.77 GAA (0.49) GAASRCITGAVITGB5ITGB3
Hydrochloric Acid SCHEMBL1760503 0.77 FOLH1 (0.43) FOLH1
Hydrochloric Acid SCHEMBL1524151 0.77 GAA (0.48) GAASRCITGAVITGB5ITGB3
Hydrochloric Acid SCHEMBL16495323 0.76 HDAC1 (0.41) HDAC1
SCHEMBL12648752 0.74 GAA (0.50) GAASRCITGAVITGB5ITGB3
Hydrochloric Acid SCHEMBL1524029 0.73 GAA (0.49) GAASRCITGAVITGB5ITGB3
Hydrochloric Acid SCHEMBL1760322 0.73 HDAC1 (0.45) HDAC1
Hydrochloric Acid SCHEMBL14957071 0.73 ALDH1A1 (0.52) GAAFOLH1
Hydrochloric Acid SCHEMBL14956271 0.68 VIP (0.35) HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145395-B2 Inhibition and dispersion of bacterial biofilms with imidazole-triazole derivatives NORTH CAROLINA STATE UNIVERSITY (US) 2015-09-29 — — US disclosed
US-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES UNIV NORTH CAROLINA STATE (US) 2013-05-23 — — 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 (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-20130129795-A1 INHIBITION AND DISPERSION OF BACTERIAL BIOFILMS WITH IMIDAZOLE-TRIAZOLE DERIVATIVES TFPI, O60361, TFPI2 GAA 2039/4885SRC 1386/4885ITGAV 199/4885

“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.

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