SCHEMBL5406700

SCHEMBL5406700

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)Cc1cccnc1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.44
KMT2A Q03164 3/20 0.43
PKM P14618 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
TBXAS1 P24557 7/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5405354 0.92 TSHR (0.47) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL5416779 0.91 TBXAS1 (0.44) KCNA5KMT2ATBXAS1HTT
SCHEMBL5403047 0.86 KCNA5 (0.46) KCNA5KMT2APKMALDH1A1MAPT
SCHEMBL5401121 0.85 MEN1 (0.41) KMT2AALDH1A1MAPTTSHRLMNA
SCHEMBL5402349 0.85 KCNA5 (0.50) KCNA5KMT2APKMALDH1A1MAPT
SCHEMBL5409427 0.85 ALDH1A1 (0.53) KCNA5KMT2APKMALDH1A1MAPT
SCHEMBL5403476 0.85 FFAR1 (0.41) KMT2AALDH1A1TSHRLMNAHTT
SCHEMBL5418597 0.84 TRPV1 (0.47) KCNA5KMT2APKMALDH1A1MAPT
SCHEMBL5409818 0.84 FFAR1 (0.45) KMT2AALDH1A1TSHRLMNAMEN1
SCHEMBL5392909 0.84 TSHR (0.51) KCNA5KMT2APKMALDH1A1MAPT

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 KCNA5 3586/4885KMT2A 2451/4885PKM 880/4885

“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.