SCHEMBL2631860

SCHEMBL2631860

Cc1ccc(Cl)cc1-c1nc(Cl)nc(Nc2ccc(N(O)O)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.56
CDK9 P50750 1/20 0.43
APP P05067 1/20 0.41
NR1I2 O75469 1/20 0.40
AHR P35869 1/20 0.40
CHRNA7 P36544 1/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NFKB1 P19838 2/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2622390 0.86 AGPAT2 (0.62) AGPAT2CDK9APPNR1I2AHR
SCHEMBL4373020 0.84 AGPAT2 (0.77) AGPAT2CDK9APPNR1I2AHR
SCHEMBL4368518 0.83 AGPAT2 (0.56) AGPAT2CDK9APPNR1I2AHR
SCHEMBL18269844 0.81 AGPAT2 (0.57) AGPAT2CDK9APPNR1I2AHR
SCHEMBL4369191 0.81 AGPAT2 (0.54) AGPAT2CDK9APPNR1I2AHR
SCHEMBL14367207 0.79 AGPAT2 (0.54) AGPAT2KMT2AALDH1A1MEN1MAPT
SCHEMBL13622471 0.78 AGPAT2 (0.53) AGPAT2CDK9APPNR1I2AHR
SCHEMBL4539786 0.77 AGPAT2 (0.60) AGPAT2CDK9HTTPOLBCYP1A2
SCHEMBL4361915 0.76 AGPAT2 (0.85) AGPAT2CDK9HTTCYP1A2CYP3A4
SCHEMBL2622392 0.75 AGPAT2 (0.58) AGPAT2CDK9APPHTTCYP1A2

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 1226/4885CDK9 1410/4885APP 3745/4885

“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.