SCHEMBL4880477

SCHEMBL4880477

NC(=O)c1ccccc1Br.[H+]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.56
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
BCAT2 O15382 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.44
CTNNB1 P35222 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ELANE P08246 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
POLB P06746 1/20 0.42

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
Hydrochloric Acid SCHEMBL4100039 0.98 METAP2 (0.54) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL700922 0.98 METAP2 (0.58) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL27675448 0.98 METAP2 (0.58) METAP2KDM4EALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL4383251 0.95 METAP2 (0.56) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL29046760 0.95 METAP2 (0.56) METAP2KDM4EALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL4100040 0.95 METAP2 (0.56) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL28248268 0.89 METAP2 (0.50) METAP2KDM4EALDH1A1MAPTTSHR
Dioxane SCHEMBL27968056 0.86 METAP2 (0.47) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL27968057 0.82 METAP2 (0.44) METAP2KDM4EALDH1A1MAPTTSHR
SCHEMBL29941064 0.80 BCAT2 (0.59) METAP2KDM4EALDH1A1MAPTTSHR

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-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 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 (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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 METAP2 4788/4885KDM4E 1170/4885ALDH1A1 672/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 METAP2 4788/4885KDM4E 1170/4885ALDH1A1 672/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI METAP2 4619/4885KDM4E 1040/4885ALDH1A1 316/4885

“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.