SCHEMBL5458972

SCHEMBL5458972

O=C(NCCCN1CCOCC1)c1ccc2[nH]c3c(c2c1)CCCC3NC1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.52
KMT2A Q03164 1/20 0.50
MAPK14 Q16539 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.47
RB1 P06400 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTR3A P46098 1/20 0.45

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
SCHEMBL5463493 0.95 PARP1 (0.55) PARP1KMT2ACYP2D6LMNASMN1; SMN2
SCHEMBL5454753 0.88 PARP1 (0.56) PARP1KMT2AMAPTRB1HTR3A
SCHEMBL5450266 0.88 PARP1 (0.56) PARP1KMT2AMAPTRB1HTR3A
SCHEMBL5452894 0.85 MAPK1 (0.51) PARP1KMT2ACYP2C9LMNASMN1; SMN2
SCHEMBL5459901 0.82 RB1 (0.53) PARP1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL5459687 0.82 RB1 (0.57) MAPTRB1ALDH1A1KDM4E
SCHEMBL5468198 0.81 RB1 (0.53) KMT2ASMN1; SMN2MAPTRB1ALDH1A1
SCHEMBL5451949 0.81 RB1 (0.56) KMT2ASMN1; SMN2MAPTRB1KDM4E
SCHEMBL5456566 0.81 RB1 (0.56) KMT2ASMN1; SMN2MAPTRB1KDM4E
SCHEMBL5449883 0.81 RB1 (0.61) KMT2ASMN1; SMN2MAPTRB1GAA

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 PARP1 709/4885KMT2A 4049/4885MAPK14 4409/4885

“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.