SCHEMBL21531189

SCHEMBL21531189

N[C@H]1CC[C@H](NC(=O)CCC(=O)NCCCOCCOCCOCCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.46
FOLH1 Q04609 4/20 0.42
PKM P14618 1/20 0.41
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
AGTR1 P30556 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL21531191 1.00 MAPT (0.48) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL21553600 0.85 MAPT (0.54) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL21531203 0.84 MAPT (0.55) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL23153703 0.80 MAPT (0.60) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL21531127 0.76 KMT2A (0.60) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL21531212 0.76 MAPT (0.52) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL14953718 0.75 KAT2B (0.57) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL16172122 0.74 ALDH1A1 (0.52) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL16172126 0.73 ALDH1A1 (0.54) MAPTKDM4EALDH1A1POLBFOLH1
SCHEMBL1885233 0.73 MAPT (0.55) MAPTKDM4EALDH1A1POLBPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 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 (2 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-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 MAPT 3689/4885KDM4E 4738/4885ALDH1A1 4695/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 MAPT 3357/4885KDM4E 4771/4885ALDH1A1 4730/4885

“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.