SCHEMBL5311322

SCHEMBL5311322

CNS(=O)(=O)c1cc(C(=O)CCCCCl)cc2c1CCC2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 7/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.33
GSTO1 P78417 1/20 0.32
NPC1 O15118 1/20 0.32
TTR P02766 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL5307851 0.85 NPC1 (0.34) NLRP3NPC1TTR
SCHEMBL5310504 0.84 NPC1 (0.37) NLRP3KMT2ANPC1TTRCA2
SCHEMBL5328862 0.83 NLRP3 (0.34) NLRP3TDP1CA2
SCHEMBL4857154 0.80 PTGS2 (0.47) TDP1KMT2AGSTO1
SCHEMBL5577157 0.73 SLC2A1 (0.37) HTTTDP1
Hydrochloric Acid SCHEMBL5310762 0.72 SLC2A1 (0.36) TDP1
SCHEMBL5576958 0.71 DRD2 (0.36) HTTTDP1
SCHEMBL5328513 0.71 NPC1 (0.35) NLRP3KMT2ANPC1TTRCA2
SCHEMBL4856564 0.70 PTGS2 (0.45) GSTO1
SCHEMBL5328213 0.70 CTNNB1 (0.57) HTTTDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
WO-2007052831-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-10 WO disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 US disclosed
US-20070099986-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-03 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-20070099986-A1 Preventives/remedies for urinary disturbance REN, GLS, ATP6V1B1 NLRP3 4302/4885HTT 2064/4885TDP1 4387/4885

“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.