SCHEMBL12443166

SCHEMBL12443166

O=C(N/N=C/c1ccc(O)cc1O)c1ccncc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
NPC1 O15118 6/20 1.00
RAB9A P51151 4/20 1.00
KDM4E B2RXH2 6/20 0.77
GAA P10253 1/20 0.77
L3MBTL1 Q9Y468 7/20 0.71
HTT P42858 2/20 0.71
BCHE P06276 1/20 0.68
SIRT1 Q96EB6 1/20 0.68
MAPT P10636 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
MITF O75030 2/20 0.64
ASF1A Q9Y294 1/20 0.64
GPR174 Q9BXC1 1/20 0.64
ALPL P05186 1/20 0.64
POLB P06746 1/20 0.64
ALPI P09923 1/20 0.64
ALPG P10696 1/20 0.64
EIF4H Q15056 1/20 0.64

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
SCHEMBL28528684 0.88 SIRT1 (0.80) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5809160 0.88 MEN1 (0.78) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5809159 0.88 MEN1 (0.78) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL5810164 0.88 MEN1 (0.78) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8343578 0.86 SIRT1 (0.85) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL8343583 0.86 SIRT1 (0.85) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL10049963 0.84 MEN1 (0.79) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL28519354 0.84 KMT2A (0.72) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL28513871 0.84 KMT2A (0.72) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL13863948 0.84 KMT2A (0.74) MEN1KMT2ANPC1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238140-A1 Compounds for Targeting Cancer Stem Cells THE GENERAL HOSPITAL CORPORATION 2021-08-05 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20210238140-A1 Compounds for Targeting Cancer Stem Cells G3BP1, G3BP2, HMGB2 MEN1 2384/4885KMT2A 1524/4885NPC1 1728/4885
US-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 MEN1 3685/4885KMT2A 4781/4885NPC1 402/4885

“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.