SCHEMBL5402237

SCHEMBL5402237

CN(C(=O)c1ccccc1-c1ccccc1C(=O)N(CCC(=O)O)CCc1cccnc1)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.42
HTR2C P28335 1/20 0.39
CHRNA7 P36544 1/20 0.38
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
AVPR1B P47901 1/20 0.37
CACNA2D1 P54289 1/20 0.37
KCNA5 P22460 2/20 0.37
ADAM17 P78536 1/20 0.36
NAPRT Q6XQN6 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
SCHEMBL5411836 0.92 KCNA5 (0.43) TBXAS1HTTKMT2ACACNA2D1KCNA5
SCHEMBL5407120 0.91 KMT2A (0.41) KMT2AADAM17
SCHEMBL5412150 0.86 TBXAS1 (0.46) TBXAS1HTR2CCHRNA7HTTKMT2A
SCHEMBL5404063 0.86 KDM4A (0.40) KMT2A
SCHEMBL5399037 0.85 TRPM8 (0.39) KMT2A
SCHEMBL5409193 0.84 TSHR (0.43) KMT2AADAM17
SCHEMBL5402960 0.83 ALDH1A1 (0.43) KMT2A
SCHEMBL5416779 0.83 TBXAS1 (0.44) TBXAS1HTR2CCHRNA7HTTKMT2A
SCHEMBL5404093 0.83 HCRTR1 (0.40) HTT
SCHEMBL5409148 0.83 TRPV1 (0.48) TBXAS1HTTKMT2AKCNA5

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 TBXAS1 802/4885HTR2C 4692/4885CHRNA7 1084/4885

“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.