SCHEMBL21531165

SCHEMBL21531165

O=C(CCC(=O)NCCOCCOCCOCCOc1ccc2cc(C(=O)O)[nH]c2c1)NCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
FOLH1 Q04609 8/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
HCAR3 P49019 1/20 0.38
DGAT1 O75907 6/20 0.38
NCF1 P14598 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL20399861 0.94 KMT2A (0.41) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL21531134 0.85 HCAR3 (0.44) MAPTKDM4EALDH1A1KMT2AHCAR3
SCHEMBL21531133 0.83 KMT2A (0.44) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL21531212 0.80 MAPT (0.52) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL21531130 0.79 HCAR3 (0.44) MAPTKDM4EALDH1A1KMT2AHCAR3
SCHEMBL21531127 0.78 KMT2A (0.60) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL20415320 0.76 DRD3 (0.37) MAPTKDM4EALDH1A1KMT2ADRD3
SCHEMBL23705089 0.75 MAPT (0.57) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL20402644 0.75 MAPT (0.57) MAPTKDM4EALDH1A1FOLH1KMT2A
SCHEMBL23705002 0.74 MAPT (0.49) MAPTKDM4EALDH1A1FOLH1KMT2A

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.