SCHEMBL4357511

SCHEMBL4357511

NCCCCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.57
CA1 P00915 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 5/20 0.57
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
CYP2C19 P33261 1/20 0.46
TYMP P19971 3/20 0.45
KMT2A Q03164 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
OPRK1 P41145 1/20 0.42
TLR8 Q9NR97 2/20 0.39
EGFR P00533 7/20 0.38

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
SCHEMBL17783197 0.98 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL15710355 0.98 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL28572545 0.98 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL28588942 0.98 CA12 (0.56) CA12CA1CA2CA9LMNA
SCHEMBL4360078 0.95 CA12 (0.58) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL31250585 0.94 CA12 (0.57) CA12CA1CA2CA9LMNA
SCHEMBL8431954 0.88 CA12 (0.61) CA12CA1CA2CA9LMNA
Trifluoroacetic Acid SCHEMBL29174403 0.88 CA12 (0.47) CA12CA1CA2CA9LMNA
Trifluoroacetic Acid SCHEMBL29174409 0.87 CA12 (0.46) CA12CA1CA2CA9LMNA
Hydrochloric Acid SCHEMBL12004636 0.87 CA12 (0.60) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113350489-A Glucose responsive insulin delivery system using hypoxia sensitive nanocomposite material 北卡罗来纳州立大学 2021-09-07 CN disclosed
CN-107530296-B Glucose responsive insulin delivery system using hypoxia sensitive nanocomposite material 北卡罗来纳州立大学 2021-06-22 CN disclosed
CN-107530296-A Glucose responsive insulin delivery system using hypoxia sensitive nanocomposite material 北卡罗来纳州立大学 2018-01-02 CN disclosed
US-7618986-B2 Method of treating latent tuberculosis EVANSTON NORTHWESTERN HEALTHCARE (US) 2009-11-17 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080076797-A1 Method of Treating Latent Tuberculosis EVANSTON NORTHWESTERN HEALTHCARE (US) 2008-03-27 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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-20080076797-A1 Method of Treating Latent Tuberculosis SDHA, NDUFB7, DUT CA12 4047/4885CA1 4698/4885CA2 3871/4885

“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.