SCHEMBL21531130

SCHEMBL21531130

O=C(NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Oc2ccc3[nH]c(C(=O)O)cc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.44
KMT2A Q03164 8/20 0.43
PYGL P06737 1/20 0.42
LGALS8 O00214 1/20 0.41
LGALS3 P17931 1/20 0.41
MEN1 O00255 5/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.40
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL21531134 0.94 HCAR3 (0.44) HCAR3KMT2AMEN1CRHBPCRHR2
SCHEMBL20399861 0.85 KMT2A (0.41) HCAR3KMT2APYGLMAPTALDH1A1
SCHEMBL21531165 0.79 MAPT (0.40) HCAR3KMT2AMAPTRAB9ANPC1
SCHEMBL21113599 0.78 HCAR3 (0.51) HCAR3KMT2AMEN1MAPTLMNA
SCHEMBL23705089 0.74 MAPT (0.57) HCAR3KMT2ACRHBPCRHR2MAPT
SCHEMBL20402644 0.74 MAPT (0.57) HCAR3KMT2ACRHBPCRHR2MAPT
SCHEMBL31646191 0.73 HCAR3 (0.48) HCAR3KMT2AMEN1MAPTLMNA
SCHEMBL21113574 0.72 MAPT (0.49) HCAR3KMT2AMEN1MAPTLMNA
SCHEMBL21531133 0.72 KMT2A (0.44) HCAR3KMT2AMAPTALDH1A1KDM4E
SCHEMBL22162663 0.71 MAPT (0.56) HCAR3KMT2ACRHBPCRHR2MAPT

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
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 HCAR3 61/4885KMT2A 3572/4885PYGL 4054/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 HCAR3 68/4885KMT2A 3699/4885PYGL 3747/4885

“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.