SCHEMBL2631865

SCHEMBL2631865

COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(N(O)O)cc2)n1

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 13/20 0.81
ALDH1A1 P00352 1/20 0.66
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
CDK9 P50750 1/20 0.55
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH4 Q9H3N8 1/20 0.51

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
SCHEMBL4366486 0.90 AGPAT2 (1.00) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL2622384 0.86 AGPAT2 (0.88) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL2622388 0.86 AGPAT2 (0.88) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL4362545 0.85 AGPAT2 (0.86) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL13622456 0.85 AGPAT2 (0.86) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL4358727 0.83 AGPAT2 (0.86) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL4358716 0.83 AGPAT2 (0.82) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL13622454 0.82 AGPAT2 (0.84) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL2622389 0.81 AGPAT2 (0.79) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9
SCHEMBL4362100 0.81 AGPAT2 (0.78) AGPAT2ALDH1A1RECQLSMN1; SMN2CDK9

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-8158677-B2 Treatment of viral infections by modulation of host cell metabolic pathways THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-04-17 US disclosed
US-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways KADMON CORPORATION, LLC 2009-09-24 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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885RECQL 1986/4885

“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.