SCHEMBL21531133

SCHEMBL21531133

O=C(CCC(=O)NCCOCCOCCOCCOc1cccc2[nH]c(C(=O)O)cc12)NCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
SRD5A2 P31213 1/20 0.41
FOLH1 Q04609 8/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGER3 P43115 1/20 0.39
CDK2 P24941 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DGAT1 O75907 5/20 0.39
POLB P06746 1/20 0.38
HCAR3 P49019 1/20 0.38
FBP1 P09467 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
SCHEMBL21531165 0.83 MAPT (0.40) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL20399861 0.83 KMT2A (0.41) KMT2ASRD5A2FOLH1MAPTKDM4E
SCHEMBL21531212 0.79 MAPT (0.52) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL21531127 0.77 KMT2A (0.60) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL23705089 0.74 MAPT (0.57) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL20402644 0.74 MAPT (0.57) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL23705002 0.73 MAPT (0.49) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL4427988 0.72 MAPT (0.57) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL31481345 0.72 MAPT (0.57) KMT2AFOLH1MAPTKDM4EALDH1A1
SCHEMBL21531203 0.72 MAPT (0.55) KMT2AFOLH1MAPTKDM4EALDH1A1

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 KMT2A 3572/4885SRD5A2 4300/4885FOLH1 1157/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 KMT2A 3699/4885SRD5A2 4417/4885FOLH1 1128/4885

“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.