SCHEMBL5455546

SCHEMBL5455546

O=C(NCc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
RB1 P06400 5/20 0.53
DHODH Q02127 1/20 0.51
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
RECQL P46063 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL5456622 0.87 RB1 (0.61) RB1DHODHALDH1A1HTTSMN1; SMN2
SCHEMBL5454075 0.85 RB1 (0.53) RB1DHODHALDH1A1SMN1; SMN2TP53
SCHEMBL5454765 0.85 RB1 (0.53) RB1DHODHKDM4EROCK2ROCK1
SCHEMBL5454039 0.85 RB1 (0.53) RB1DHODHKDM4EROCK2ROCK1
SCHEMBL5445765 0.84 RB1 (0.52) RAB9ANPC1RB1KDM4EALDH1A1
SCHEMBL5447153 0.84 RB1 (0.53) RB1DHODHKDM4EROCK2ROCK1
SCHEMBL5456566 0.83 RB1 (0.56) RAB9ARB1KDM4ERECQLGLA
SCHEMBL5451949 0.83 RB1 (0.56) RAB9ARB1KDM4ERECQLGLA
SCHEMBL5459653 0.82 RB1 (0.57) RB1DHODHALDH1A1GLAGAA
SCHEMBL5468069 0.82 RB1 (0.55) RAB9ARB1KDM4EALDH1A1HPGD

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 RAB9A 2512/4885NPC1 451/4885RB1 1821/4885

“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.