SCHEMBL5398682

SCHEMBL5398682

Cc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)CCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
TACR1 P25103 2/20 0.37
HPGD P15428 1/20 0.37
HCRTR1 O43613 3/20 0.37
HCRTR2 O43614 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5412315 0.95 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL5407055 0.95 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL5401118 0.94 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL5401005 0.92 KMT2A (0.48) KMT2AMEN1ALDH1A1TDP1LTB4R2
SCHEMBL5401457 0.92 HTR2C (0.43) KMT2AMEN1ALDH1A1TDP1
SCHEMBL5392139 0.92 LPAR1 (0.41) KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL5403805 0.90 RAB9A (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2LTB4R
SCHEMBL5404140 0.90 CA12 (0.46)
SCHEMBL5407116 0.90 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1TDP1POLB
SCHEMBL5404012 0.90 KDM4E (0.43) ALDH1A1TDP1POLBHCRTR1HCRTR2

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-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 EP 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB KMT2A 2451/4885MEN1 891/4885ALDH1A1 1256/4885

“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.