SCHEMBL5458559

SCHEMBL5458559

O=C(NCCCN1CCCC1=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCc1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TYRO3 Q06418 2/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.44
CDC42 P60953 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 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
SCHEMBL5454743 0.91 ALDH1A1 (0.52) ALDH1A1CYP2C9CYP2C19TYRO3KDM4E
SCHEMBL5466668 0.88 MAPT (0.46) ALDH1A1TYRO3KDM4EMAPTHPGD
SCHEMBL5466557 0.87 HTR3A (0.51) ALDH1A1KDM4EMAPTSMN1; SMN2CDC42
SCHEMBL5456584 0.86 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5461869 0.85 GAA (0.49) ALDH1A1CYP2C9CYP2C19KDM4EMAPT
SCHEMBL5454063 0.85 ALDH1A1 (0.47) ALDH1A1CYP2C19KDM4EMAPTHPGD
SCHEMBL14388669 0.85 USP2 (0.45) ALDH1A1CYP2C9CYP2C19KDM4EMAPT
SCHEMBL5448116 0.85 MAPT (0.48) ALDH1A1CYP2C9CYP2C19TYRO3KDM4E
SCHEMBL5453994 0.84 GAA (0.47) ALDH1A1CYP2C9CYP2C19KDM4EMAPT
SCHEMBL5452894 0.82 MAPK1 (0.51) ALDH1A1CYP2C9CYP2C19KDM4EMAPT

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 ALDH1A1 2322/4885CYP3A4 49/4885CYP2D6 670/4885

“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.