SCHEMBL8102912

SCHEMBL8102912

[2H]C([2H])([2H])Oc1cc(N)c(C(=O)O)cc1OC([2H])([2H])[2H]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
ALDH1A1 P00352 5/20 0.43
IDO1 P14902 1/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.41
GFER P55789 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL85946 0.86 KDM4E (0.69) KDM4ELCKFYNALDH1A1IDO1
Hydrochloric Acid SCHEMBL5012089 0.85 KDM4E (0.67) KDM4ELCKFYNALDH1A1IDO1
Nitrogen SCHEMBL28644623 0.83 KDM4E (0.65) KDM4ELCKFYNALDH1A1IDO1
SCHEMBL3661768 0.81 KDM4E (0.83) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL19426394 0.79 KDM4E (0.64) KDM4ELCKFYNALDH1A1IDO1
SCHEMBL13671488 0.77 KDM4E (0.57) KDM4ELCKFYNALDH1A1HPGD
SCHEMBL2890743 0.77 ALDH1A1 (0.59) KDM4ELCKFYNALDH1A1IDO1
SCHEMBL18669213 0.77 KDM4E (0.56) KDM4ELCKFYNALDH1A1IDO1
SCHEMBL2235600 0.76 KDM4E (0.56) KDM4ELCKFYNALDH1A1KMT2A
SCHEMBL31498494 0.75 ALDH1A1 (0.45) KDM4EALDH1A1IDO1HPGDPOLB

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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS AUSPEX PHARMACEUTICALS, INC. (US) 2008-02-14 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-20080039473-A1 PREPARATION AND UTILITY OF SUBSTITUTED QUINAZOLINE COMPOUNDS WITH ALPHA-ADRENERGIC BLOCKING EFFECTS ADRB1, ADRB2, ADRB3 KDM4E 3794/4885LCK 2683/4885FYN 2282/4885

“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.