SCHEMBL5459002

SCHEMBL5459002

O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
PARP1 P09874 1/20 0.44
TSHR P16473 1/20 0.43
CDC42 P60953 1/20 0.43
SNCA P37840 1/20 0.43
PDE4B Q07343 1/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GAA P10253 1/20 0.43
CASP6 P55212 1/20 0.43
CDK1 P06493 1/20 0.42
CDK2 P24941 1/20 0.42
LMNA P02545 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NAMPT P43490 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
SCHEMBL5454096 0.94 CDC42 (0.50) DHODHSMN1; SMN2MAPK1PARP1TSHR
SCHEMBL5492905 0.93 SMN1; SMN2 (0.48) DHODHSMN1; SMN2MAPTALOX15MAPK1
SCHEMBL5461879 0.92 GAA (0.51) SMN1; SMN2HTTMAPTPARP1TSHR
SCHEMBL5456586 0.92 BRD3 (0.45) HTTPARP1CDC42PDE4BGAA
SCHEMBL5452942 0.89 NAMPT (0.48) DHODHSMN1; SMN2HTTMAPTMAPK1
SCHEMBL5460537 0.89 CDC42 (0.49) DHODHMAPTMAPK1PARP1TSHR
SCHEMBL5460464 0.89 BRD3 (0.44) DHODHPARP1CDC42GAACASP6
SCHEMBL5445856 0.88 CDC42 (0.48) DHODHMAPTPARP1TSHRCDC42
SCHEMBL5459638 0.87 GAA (0.47) SMN1; SMN2HTTMAPTPARP1TSHR
SCHEMBL5460486 0.87 TRPV1 (0.48) MAPTMAPK1PARP1TSHRCDC42

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 DHODH 1635/4885SMN1; SMN2 4824/4885HTT 3020/4885

“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.