SCHEMBL20399861

SCHEMBL20399861

O=C(CCC(=O)NCCOCCOCCOCCOc1ccc2[nH]c(C(=O)O)cc2c1)NCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
SRD5A2 P31213 1/20 0.39
HSD17B10 Q99714 1/20 0.39
FOLH1 Q04609 7/20 0.39
POLB P06746 1/20 0.39
PYGL P06737 1/20 0.38
HCAR3 P49019 1/20 0.38
DGAT1 O75907 5/20 0.38
NCF1 P14598 1/20 0.37

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 0.94 MAPT (0.40) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL21531130 0.85 HCAR3 (0.44) KMT2AKDM4EMAPTALDH1A1PYGL
SCHEMBL21531133 0.83 KMT2A (0.44) KMT2AKDM4EMAPTALDH1A1SRD5A2
SCHEMBL21531212 0.80 MAPT (0.52) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL21531134 0.79 HCAR3 (0.44) KMT2AKDM4EMAPTALDH1A1HCAR3
SCHEMBL21531127 0.78 KMT2A (0.60) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL23705089 0.75 MAPT (0.57) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL20402644 0.75 MAPT (0.57) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL23705002 0.74 MAPT (0.49) KMT2AKDM4EMAPTALDH1A1FOLH1
SCHEMBL4427988 0.73 MAPT (0.57) KMT2AKDM4EMAPTALDH1A1FOLH1

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-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
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 WO 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 3572/4885KDM4E 4738/4885MAPT 3689/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 KMT2A 3699/4885KDM4E 4771/4885MAPT 3357/4885

“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.