SCHEMBL5568092

SCHEMBL5568092

O=C(NCc1ccccc1)N1CCC(NS(=O)(=O)CCc2cccc(Cl)c2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CTDSP1 Q9GZU7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45
TUBB3 Q13509 1/20 0.45
TUBB2A Q13885 1/20 0.45
TUBB8 Q3ZCM7 1/20 0.45
TUBA3E Q6PEY2 1/20 0.45

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
SCHEMBL5568808 0.78 STS (0.54) ALDH1A1LMNAHTT
SCHEMBL5568095 0.76 NPSR1 (0.50) NPSR1KMT2AMEN1CTDSP1TDP1
SCHEMBL4773378 0.76 NPSR1 (0.50) NPSR1KMT2AMEN1CTDSP1TDP1
SCHEMBL4775200 0.71 L3MBTL1 (0.47) NPSR1TDP1POLBALDH1A1TSHR
SCHEMBL4773179 0.70 KMT2A (0.53) NPSR1KMT2AMEN1CTDSP1TDP1
SCHEMBL7303045 0.70 NPSR1 (0.81) NPSR1KMT2AMEN1ALDH1A1TSHR
SCHEMBL13841233 0.68 MEN1 (0.72) NPSR1KMT2AMEN1POLBALDH1A1
SCHEMBL6813790 0.68 MEN1 (0.72) NPSR1KMT2AMEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL12466838 0.68 KMT2A (0.53) NPSR1KMT2AMEN1CTDSP1TDP1
SCHEMBL14413553 0.67 EPHX2 (0.58) NPSR1POLBALDH1A1PKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 NPSR1 4395/4885KMT2A 1501/4885MEN1 1302/4885

“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.