SCHEMBL128649

SCHEMBL128649

C=CCN(CC=C)c1ccc(N)c(S(=O)(=S)OO)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.30
DHFR P00374 1/20 0.30
RAB9A P51151 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
SCHEMBL152875 0.85 S100B (0.31)
SCHEMBL128645 0.82 S100B (0.47) RAB9A
SCHEMBL128462 0.80 NSD2 (0.36) RAB9A
SCHEMBL127321 0.76 ADRA2A (0.35) RAB9A
SCHEMBL179662 0.70 MEN1 (0.37) PTPN1DHFR
SCHEMBL8524528 0.69 ALDH1A1 (0.42) PTPN1DHFR
Sulfuric Acid SCHEMBL14324849 0.67 ALDH1A1 (0.42)
SCHEMBL6580919 0.67 S100B (0.62) PTPN1DHFR
SCHEMBL150568 0.66 S100B (0.51) RAB9A
SCHEMBL11037811 0.64 CHKA (0.34) PTPN1DHFR

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-8691979-B2 Methods of chemical synthesis of diaminophenothiazinium compounds involving the use of persulfate oxidants WISTA LABORATORIES LTD. (SG) 2014-04-08 US disclosed
US-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS WISTA LABORATORIES LTD. (SG) 2012-03-08 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-20120058995-A1 METHODS OF CHEMICAL SYNTHESIS OF DIAMINOPHENOTHIAZINIUM COMPOUNDS INVOLVING THE USE OF PERSULFATE OXIDANTS TST, TPMT, MGMT PTPN1 4020/4885DHFR 140/4885RAB9A 3655/4885

“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.