SCHEMBL353032

SCHEMBL353032

CNC(=O)CCCOc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
HDAC1 Q13547 1/20 0.63
HDAC2 Q92769 1/20 0.63
TAAR1 Q96RJ0 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
ALPL P05186 1/20 0.57
ALPI P09923 1/20 0.57
ALPG P10696 1/20 0.57
RECQL P46063 1/20 0.57
GAA P10253 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56

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
SCHEMBL18381487 0.95 HDAC1 (0.71) HPGDMEN1KMT2AHDAC1HDAC2
SCHEMBL10588204 0.91 CYP1A2 (0.67) MEN1KMT2AHDAC1HDAC2SMN1; SMN2
SCHEMBL17636026 0.84 LTA4H (0.51) HPGD
SCHEMBL9923769 0.84 HPGD (0.64) HPGDMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL15336407 0.84 HDAC1 (0.87) HPGDMEN1KMT2AHDAC1HDAC2
SCHEMBL27439170 0.82 KMT2A (0.55) HPGDMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL3267877 0.82 HDAC1 (0.63) HPGDMEN1KMT2AHDAC1HDAC2
SCHEMBL12890266 0.81 SMN1; SMN2 (0.72) HPGDMEN1KMT2AHDAC1HDAC2
SCHEMBL7995786 0.81 L3MBTL1 (0.69) HPGDMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2206370 0.81 SMN1; SMN2 (0.52) HPGDMEN1KMT2ASMN1; SMN2L3MBTL1

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 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 (2 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-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 HPGD 3730/4885MEN1 2152/4885KMT2A 278/4885
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA HPGD 1814/4885MEN1 4239/4885KMT2A 1210/4885

“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.