SCHEMBL12501019

SCHEMBL12501019

O=c1c(/C=C/Br)cn([C@H](CCO)OCCO)c(=O)n1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ BRAF P15056 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ MAPK9 P45984 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL12410793 0.76 KMT2A (0.42) KMT2AKDM4ENPSR1LMNAMAPT
SCHEMBL1558809 0.76 KMT2A (0.42) KMT2AKDM4ENPSR1LMNAMAPT
SCHEMBL12410837 0.63 TK1 (0.58) NPSR1LMNASMN1; SMN2
SCHEMBL17243673 0.63 TK1 (0.58) NPSR1LMNASMN1; SMN2
SCHEMBL12748527 0.62 LMNA (0.31) LMNASMN1; SMN2ADORA2BRAB9AADORA3
SCHEMBL5616888 0.59 L3MBTL1 (0.50) KMT2AKDM4ENPSR1LMNAMAPT
SCHEMBL8985073 0.58 GSK3B (0.67) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL5796829 0.55 L3MBTL1 (0.52) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL5812520 0.55 L3MBTL1 (0.52) KMT2AMEN1L3MBTL1MAPK8MAPK9
SCHEMBL6555940 0.55 TYMP (0.42) LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF RESPROTECT GMBH (DE) 2011-07-07 — — 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 (1 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-20110166096-A1 URACIL DERIVATIVES AND USE THEREOF TYMP, UNG, DPYD KMT2A 3185/4885KDM4E 2658/4885NPSR1 4350/4885

“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.

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