SCHEMBL14367207

SCHEMBL14367207

Cc1ccc(Cl)cc1-c1nc(Cl)nc(Nc2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.54
ABCG2 Q9UNQ0 2/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSP90AA1 P07900 1/20 0.52
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
RAB9A P51151 2/20 0.47
KCNH3 Q9ULD8 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
GSK3B P49841 1/20 0.40

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
SCHEMBL2622390 0.84 AGPAT2 (0.62) AGPAT2MAPTMEN1KMT2ARAB9A
SCHEMBL4373020 0.82 AGPAT2 (0.77) AGPAT2MAPTPIK3CAPIK3CBPIK3CG
SCHEMBL18269844 0.80 AGPAT2 (0.57) AGPAT2MAPTMEN1KMT2ARAB9A
SCHEMBL8973131 0.79 ABCG2 (0.74) ABCG2ALDH1A1MAPTTDP1HSP90AA1
SCHEMBL8913032 0.79 ABCG2 (0.70) ABCG2ALDH1A1MAPTTDP1HSP90AA1
SCHEMBL2631860 0.79 AGPAT2 (0.56) AGPAT2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4368518 0.79 AGPAT2 (0.56) AGPAT2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4369191 0.77 AGPAT2 (0.54) AGPAT2ALDH1A1MAPTMEN1KMT2A
SCHEMBL13622471 0.76 AGPAT2 (0.53) AGPAT2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4362100 0.75 AGPAT2 (0.78) AGPAT2ALDH1A1MEN1KMT2APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9757407-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2017-09-12 US disclosed
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS UNIV PRINCETON (US) 2016-12-01 US disclosed
US-9029413-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-05-12 US disclosed
EP-2572712-A2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-27 EP disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 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-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ABCG2 958/4885ALDH1A1 1469/4885

“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.