SCHEMBL5452894

SCHEMBL5452894

O=C(NCCCN1CCCC1=O)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
RB1 P06400 3/20 0.46
KMT2A Q03164 1/20 0.46
PARP1 P09874 1/20 0.46
GAA P10253 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45
NAMPT P43490 1/20 0.44

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
SCHEMBL5458972 0.85 PARP1 (0.52) TSHRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL5454753 0.85 PARP1 (0.56) MAPTRB1KMT2APARP1
SCHEMBL5450266 0.85 PARP1 (0.56) MAPTRB1KMT2APARP1
SCHEMBL5453994 0.85 GAA (0.47) MAPK1TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL14388668 0.84 MAPT (0.46) MAPK1TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL5448116 0.84 MAPT (0.48) MAPK1TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL5448921 0.84 RB1 (0.48) MAPK1SMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL5461869 0.83 GAA (0.49) MAPK1TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL5456584 0.83 ALDH1A1 (0.53) MAPK1TSHRSMN1; SMN2HPGDALDH1A1
SCHEMBL5463493 0.82 PARP1 (0.55) MAPK1SMN1; SMN2ALDH1A1LMNAPOLB

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 MAPK1 4431/4885TSHR 4876/4885SMN1; SMN2 4824/4885

“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.