SCHEMBL653632

SCHEMBL653632

O=C(c1ncc[nH]1)c1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
F2RL1 P55085 1/20 0.55
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
GLA P06280 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 2/20 0.49
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CSNK1A1 P48729 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALOX15 P16050 1/20 0.43
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL27805818 0.88 KMT2A (0.77) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL722012 0.87 KMT2A (0.59) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL698128 0.84 KMT2A (0.56) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL696920 0.81 KMT2A (0.51) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL2450877 0.81 KMT2A (0.69) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL27733634 0.81 KMT2A (0.52) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL395690 0.80 KMT2A (0.67) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL3462830 0.80 KMT2A (0.67) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL28358852 0.80 KMT2A (0.67) KMT2AF2RL1HTTSMN1; SMN2GLA
SCHEMBL3428547 0.79 KMT2A (0.49) KMT2AF2RL1HTTSMN1; SMN2GLA

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-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US claimed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US claimed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US claimed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US claimed

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-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 KMT2A 3770/4885F2RL1 3682/4885HTT 22/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM KMT2A 2363/4885F2RL1 4621/4885HTT 19/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 KMT2A 1829/4885F2RL1 3318/4885HTT 67/4885

“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.