SCHEMBL8414629

SCHEMBL8414629

CN(C)C(=O)[C@H](O)[C@@H](O)C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLA2G1B P04054 1/20 0.48
THRB P10828 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48

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
SCHEMBL8208199 0.79 TAAR1 (0.56) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10768865 0.77 FABP4 (0.64) KCNQ2MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL14519897 0.77 KCNQ2 (0.63) KCNQ2MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL8414550 0.76 MGLL (0.54) MEN1KMT2A
SCHEMBL8212712 0.76 ALDH1A1 (0.50) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL1752659 0.75 ALDH1A1 (0.63) KCNQ2MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL8414552 0.75 KMT2A (0.46) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1752021 0.74 TAAR1 (0.61) KCNQ2MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL4652085 0.74 TAAR1 (0.61) KCNQ2MAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL34420050 0.74 CA12 (0.64) KCNQ2MAPTALDH1A1MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 KCNQ2 2736/4885MAPT 739/4885ALDH1A1 1502/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF KCNQ2 3043/4885MAPT 874/4885ALDH1A1 1369/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI KCNQ2 3022/4885MAPT 804/4885ALDH1A1 1607/4885

“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.