SCHEMBL5453994

SCHEMBL5453994

CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3NCCCN1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
CASP6 P55212 1/20 0.47
ALDH1A1 P00352 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 1/20 0.45
PRMT5 O14744 1/20 0.45
MAPT P10636 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.44
CDC42 P60953 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL5461869 0.87 GAA (0.49) GAACASP6ALDH1A1SMN1; SMN2KMT2A
SCHEMBL5453990 0.86 GAA (0.55) GAACASP6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5475991 0.86 TSHR (0.59) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5452894 0.85 MAPK1 (0.51) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL14388668 0.84 MAPT (0.46) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5448116 0.84 MAPT (0.48) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5455124 0.84 GAA (0.53) GAACASP6ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5454743 0.84 ALDH1A1 (0.52) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5458559 0.84 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL5466668 0.84 MAPT (0.46) GAAALDH1A1SMN1; SMN2KMT2AKDM4E

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 GAA 1417/4885CASP6 3264/4885ALDH1A1 2322/4885

“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.