SCHEMBL2622389

SCHEMBL2622389

COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(C)c(Cl)c2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 9/20 0.79
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.58
RECQL P46063 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAD52 P43351 1/20 0.54
UBE2N P61088 1/20 0.54
HRH4 Q9H3N8 1/20 0.54
MAPT P10636 3/20 0.52
USP2 O75604 2/20 0.52
MAPK1 P28482 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CDK9 P50750 1/20 0.50
GAA P10253 2/20 0.48

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
SCHEMBL4358716 0.91 AGPAT2 (0.82) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL4366486 0.88 AGPAT2 (1.00) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL2622384 0.87 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL2622388 0.85 AGPAT2 (0.88) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL4362545 0.84 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL13622456 0.84 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL4358727 0.82 AGPAT2 (0.86) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL2631865 0.81 AGPAT2 (0.81) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL4363446 0.81 AGPAT2 (0.72) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1
SCHEMBL13622454 0.81 AGPAT2 (0.84) AGPAT2ALDH1A1SMN1; SMN2RECQLMEN1

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 6 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
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2013-03-14 US disclosed
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 (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-20090239830-A1 Treatment of viral infections by modulation of host cell metabolic pathways GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885SMN1; SMN2 2585/4885
US-20160346309-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885SMN1; SMN2 2585/4885
US-20130065850-A1 TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS GOT2, MAVS, ME3 AGPAT2 1226/4885ALDH1A1 1469/4885SMN1; SMN2 2585/4885

“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.