SCHEMBL4572128

SCHEMBL4572128

C#CCN(C)C(=O)c1ccccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
TSPO P30536 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
CYP3A4 P08684 1/20 0.36
PYCR1 P32322 1/20 0.36
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL19676845 0.81 ADRA1D (0.42) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL2228815 0.80 KMT2A (0.59) KMT2AHPGDTSHRMEN1TDP1
SCHEMBL19020742 0.80 MEN1 (0.39) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL20777519 0.80 HPGD (0.43) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL24114275 0.78 KMT2A (0.43) KMT2AHPGDMEN1ALDH1A1LMNA
SCHEMBL2060980 0.78 KDM4E (0.47) KMT2AHPGDTSHRTSPOMEN1
SCHEMBL22317081 0.78 KMT2A (0.40) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL12287113 0.78 TP53 (0.50) KMT2AHPGDTSHRMEN1ALDH1A1
SCHEMBL11225239 0.78 KMT2A (0.40) KMT2AHPGDTSHRTSPOMEN1
SCHEMBL22844028 0.77 P2RX7 (0.41) KMT2AHPGDTSHRMEN1ALDH1A1

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-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885HPGD 99/4885TSHR 2964/4885

“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.