SCHEMBL20115424

SCHEMBL20115424

O=C(N/N=C/c1ccccc1)c1ccc(O)cc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
POLB P06746 2/20 0.75
NPSR1 Q6W5P4 1/20 0.68
GCGR P47871 1/20 0.66
NTRK1 P04629 2/20 0.64
RRM1 P23921 1/20 0.64
RAB9A P51151 3/20 0.59
MAPT P10636 3/20 0.59
NPC1 O15118 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
APAF1 O14727 1/20 0.58
PKM P14618 1/20 0.56
PHGDH O43175 1/20 0.55
PIK3CG P48736 1/20 0.54
ECE2 P0DPD6 1/20 0.54
ECE1 P42892 1/20 0.54
DNM1 Q05193 1/20 0.54
MUS81 Q96NY9 1/20 0.54

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
SCHEMBL20299057 1.00 MEN1 (0.75) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL20115428 0.91 MEN1 (0.63) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292852 0.91 MEN1 (0.63) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292691 0.90 NPSR1 (0.80) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292689 0.90 NPSR1 (0.80) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292806 0.86 KMT2A (0.58) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292816 0.86 KMT2A (0.58) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292818 0.86 KMT2A (0.58) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292798 0.86 NPC1 (0.61) MEN1KMT2APOLBNPSR1GCGR
SCHEMBL21292804 0.86 KMT2A (0.58) MEN1KMT2APOLBNPSR1GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2020-02-20 US disclosed
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2020-02-20 US disclosed
US-20190336610-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2019-11-07 US disclosed
EP-3558383-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES Gubra ApS (DK) 2019-10-30 EP disclosed
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2019-08-29 US disclosed
CN-110087690-A Glucose-sensitive peptide hormone 古布拉有限公司 2019-08-02 CN disclosed
WO-2018115462-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2018-06-28 WO disclosed
WO-2018115462-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES GUBRA APS (DK) 2018-06-28 WO disclosed
WO-2018076537-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF 北京大学 2018-05-03 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 (3 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-20190336610-A1 GLUCOSE-SENSITIVE PEPTIDE HORMONES IAPP, GCG, VIP MEN1 241/4885KMT2A 3303/4885POLB 4620/4885
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885POLB 1245/4885
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD MEN1 2502/4885KMT2A 1899/4885POLB 1245/4885

“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.