SCHEMBL5452942

SCHEMBL5452942

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.48
CDC42 P60953 1/20 0.46
MAPT P10636 1/20 0.46
ROCK2 O75116 2/20 0.45
DHODH Q02127 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
GFER P55789 1/20 0.42
CASP6 P55212 1/20 0.42

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
SCHEMBL5463485 0.91 CDC42 (0.44) NAMPTCDC42MAPTROCK2DHODH
SCHEMBL5454096 0.91 CDC42 (0.50) NAMPTCDC42ROCK2DHODHMAPK3
SCHEMBL5459002 0.89 DHODH (0.47) NAMPTCDC42MAPTDHODHMAPK1
SCHEMBL5492905 0.89 SMN1; SMN2 (0.48) CDC42MAPTROCK2DHODHMAPK3
SCHEMBL5460537 0.88 CDC42 (0.49) NAMPTCDC42MAPTROCK2DHODH
SCHEMBL5445856 0.87 CDC42 (0.48) CDC42MAPTDHODHGAAKMT2A
SCHEMBL5448977 0.87 CDC42 (0.48) NAMPTCDC42MAPTROCK2DHODH
SCHEMBL5461879 0.86 GAA (0.51) CDC42MAPTGAALMNAKMT2A
SCHEMBL5456586 0.86 BRD3 (0.45) NAMPTCDC42GAAHTTCASP6
SCHEMBL5460464 0.86 BRD3 (0.44) NAMPTCDC42ROCK2DHODHGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 NAMPT 2905/4885CDC42 1241/4885MAPT 3817/4885

“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.