SCHEMBL6139788

SCHEMBL6139788

NCCc1cccc2c1[S+]([O-])c1ccccc1C2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.40
HTR2A P28223 6/20 0.34
PNMT P11086 1/20 0.34
HRH1 P35367 4/20 0.33
HTR2C P28335 2/20 0.31
HMGB1 P09429 1/20 0.30
ADRA2C P18825 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
SCHEMBL2310833 0.85 FFAR1 (0.30)
SCHEMBL1041269 0.81
SCHEMBL6868808 0.81 GABRA1 (0.33)
SCHEMBL8813732 0.76
SCHEMBL1042696 0.72 ALDH1A1 (0.32) HTR2AHRH1
SCHEMBL150109 0.72 AHR (0.33)
SCHEMBL2308035 0.72 FFAR1 (0.31)
SCHEMBL8411757 0.72 ALDH1A1 (0.39)
SCHEMBL9160477 0.72 MAOA (0.39) HTR2AHRH1HTR2C
SCHEMBL36333 0.72 MAOA (0.39) HTR2AHRH1HTR2C

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-20050176619-A1 N-[[1-[[2-(diethylamino)ethyl]amino]-7-methoxy-9-oxothioxanthen-4-yl]-methyl]formamide, or a pharmaceutically acceptable acid-addition salt thereof, and to the method of use thereof in the treatment of tumors and cancers. SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
EP-1406699-A1 ANTITUMORAL FORMULATIONS OF THIOXANTHENONE Sanofi-Aventis (FR) 2004-04-14 EP disclosed
WO-2003002202-A1 ANTITUMORAL FORMULATIONS OF THIOXANTHENONE SANOFI-SYNTHELABO (FR) 2003-01-09 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-20050176619-A1 N-[[1-[[2-(diethylamino)ethyl]amino]-7-methoxy-9-oxothioxanthen-4-yl]-methyl]formamide, or a pharmaceutically acceptable acid-addition salt thereof, and to the method of use thereof in the treatment of tumors and cancers. DOHH, MTX2, MTX1 TAAR1 3496/4885HTR2A 2309/4885PNMT 865/4885

“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.