SCHEMBL4759685

SCHEMBL4759685

O=C(CI)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.65
ACHE P22303 4/20 0.65
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
USP2 O75604 1/20 0.59
ALOX15 P16050 1/20 0.59
NOX1 Q9Y5S8 1/20 0.59
ADRB3 P13945 1/20 0.58
HRH2 P25021 1/20 0.58
ADRA1D P25100 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
SLC6A3 Q01959 1/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.58

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
SCHEMBL627575 0.81 BCHE (0.65) BCHEACHEALDH1A1MAPK1USP2
SCHEMBL4759501 0.81 BCHE (0.65) BCHEACHEALDH1A1MAPK1USP2
SCHEMBL2681239 0.81 BCHE (0.70) BCHEACHEALDH1A1MAPK1USP2
SCHEMBL20272375 0.79 BCHE (0.71) BCHEACHEALDH1A1MAPK1USP2
SCHEMBL7982855 0.79 BCHE (0.67) BCHEACHEMAPK1NOX1ADRB3
SCHEMBL11618894 0.79 BCHE (0.67) BCHEACHEALDH1A1MAPK1USP2
SCHEMBL7966578 0.79 BCHE (1.00) BCHEACHEALDH1A1MAPK1ADRB3
SCHEMBL16372736 0.79 BCHE (0.70) BCHEACHENOX1MAPT
SCHEMBL8739172 0.78 BCHE (0.76) BCHEACHENOX1MEN1KMT2A
SCHEMBL24864781 0.77 BCHE (0.59) BCHEACHEALDH1A1MAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765797-A4 PHENOTHIAZINE DERIVATIVES AND THEIR METHOD OF USE UNIV KANSAS CT FOR RES INC (US) 2008-02-06 EP disclosed
EP-1765797-A1 PHENOTHIAZINE DERIVATIVES AND THEIR METHOD OF USE University of Kansas Center for Research, Inc. (US) 2007-03-28 EP disclosed
WO-2006002441-A1 PHENOTHIAZINE DERIVATIVES AND THEIR METHOD OF USE UNIVERSITY OF KANSAS (US) 2006-01-05 WO disclosed
US-20050288279-A1 Phenothiazine derivatives and their method of use KANSAS MEDICAL CENTER, UNIVERSITY OF 2005-12-29 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-20050288279-A1 Phenothiazine derivatives and their method of use SHBG, GPR119, BRDT BCHE 3057/4885ACHE 2804/4885ALDH1A1 2344/4885

“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.