SCHEMBL5347283

SCHEMBL5347283

O=C(CCC(=O)OCc1ccccc1)Nc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
POLB P06746 2/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.62
EPHX2 P34913 1/20 0.57
NAMPT P43490 1/20 0.56
NOTUM Q6P988 2/20 0.55
SGMS2 Q8NHU3 1/20 0.55
ALDH1A1 P00352 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53

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
SCHEMBL5348225 0.90 ALDH1A1 (0.60) KMT2AMEN1POLBSMN1; SMN2EPHX2
SCHEMBL968903 0.82 POLB (0.71) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL17883406 0.81 KMT2A (0.50) KMT2AMEN1POLBSMN1; SMN2EPHX2
SCHEMBL17778393 0.81 MAPT (0.71) KMT2AMEN1POLBMAPTSMN1; SMN2
SCHEMBL7497341 0.81 LMNA (0.66) KMT2AMEN1POLBSMN1; SMN2EPHX2
SCHEMBL5356584 0.79 SMN1; SMN2 (0.73) POLBSMN1; SMN2EPHX2NOTUMALDH1A1
SCHEMBL304802 0.78 TDP1 (0.60) KMT2ANAMPTALDH1A1L3MBTL1LMNA
SCHEMBL2198042 0.78 EPHX2 (0.69) SMN1; SMN2EPHX2NAMPTNOTUMALDH1A1
SCHEMBL30420372 0.78 EPHX2 (0.69) SMN1; SMN2EPHX2NAMPTNOTUMALDH1A1
SCHEMBL16398136 0.77 MAPT (0.67) KMT2AMEN1POLBMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 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-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI KMT2A 3693/4885MEN1 4308/4885POLB 2823/4885

“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.