SCHEMBL5401005

SCHEMBL5401005

Cc1cccc(CN(C)C(=O)c2ccccc2-c2ccccc2C(=O)N(CCC(=O)O)Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TACR1 P25103 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
LPAR1 Q92633 1/20 0.38
HSP90AA1 P07900 1/20 0.38

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
SCHEMBL5399171 0.93 KMT2A (0.42) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL5398682 0.92 KMT2A (0.44) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL5411809 0.92 TDP1 (0.46) KMT2AMEN1ALDH1A1TDP1TSHR
SCHEMBL5406304 0.92 KCNA5 (0.44) KMT2AMEN1ALDH1A1TDP1MAPT
SCHEMBL5407055 0.91 KMT2A (0.43) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL5412315 0.88 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1TACR1
SCHEMBL5401118 0.87 KMT2A (0.39) KMT2AMEN1ALDH1A1TDP1CYP3A4
SCHEMBL5401457 0.86 HTR2C (0.43) KMT2AMEN1ALDH1A1TDP1
SCHEMBL5406393 0.86 KMT2A (0.64) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL5405895 0.85 HCRTR1 (0.39) KMT2AMEN1ALDH1A1TDP1TACR1

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.