SCHEMBL6515029

SCHEMBL6515029

NC(O)=S.OC(=S)NN1CCCCC1.[NaH]

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA12 O43570 3/20 0.31
CA9 Q16790 3/20 0.31
F2 P00734 1/20 0.31
MGLL Q99685 2/20 0.30
PIN1 Q13526 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALDH2 P05091 1/20 0.30
FBP1 P09467 1/20 0.30

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
SCHEMBL7758216 0.98 HTT (0.34) HTTCA1CA2CA12CA9
SCHEMBL3074878 0.98 HTT (0.38) HTTCA1CA2CA12CA9
SCHEMBL3066005 0.95 HTT (0.35) HTTCA1CA2CA12CA9
Ammonia Solution, Strong SCHEMBL28405557 0.93 HTT (0.34) HTTCA1CA2CA12CA9
SCHEMBL10897991 0.91 HTT (0.42) HTTCA1CA2CA12CA9
SCHEMBL3071699 0.91 HTT (0.42) HTTCA1CA2CA12CA9
SCHEMBL28146447 0.88 HTT (0.41) HTTCA1CA2CA12CA9
SCHEMBL3074808 0.88
Piperidine SCHEMBL28394461 0.86 ALDH1A1 (0.33) HTTCA2ALDH1A1
Ammonia Solution, Strong SCHEMBL4747013 0.85 ALDH1A1 (0.38) HTTCA1CA2CA12CA9

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-20050008568-A1 Technetium or rhenium complexes, radiopharmaceutical products comprising them SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 US disclosed
EP-1453841-A1 TECHNETIUM OR RHENIUM COMPLEXES, RADIOPHARMACEUTICAL PRODUCTS COMPRISING THEM SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-08 EP disclosed
WO-2003044031-A1 TECHNETIUM OR RHENIUM COMPLEXES, RADIOPHARMACEUTICAL PRODUCTS COMPRISING THEM SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-30 WO 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-20050008568-A1 Technetium or rhenium complexes, radiopharmaceutical products comprising them TSHR, MRPS35, TFRC HTT 1573/4885CA1 2501/4885CA2 1554/4885

“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.