SCHEMBL3032804

SCHEMBL3032804

OCCN(CCO)c1cccc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
EGFR P00533 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 1/20 0.37
TDP1 Q9NUW8 2/20 0.36

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
SCHEMBL11518103 0.89 ALDH1A1 (0.49) HRH3MTNR1AMTNR1BMAPTKMT2A
SCHEMBL11519087 0.87 HRH3 (0.42) HRH3MTNR1AMTNR1BMAPTKMT2A
SCHEMBL20961718 0.85 HRH3 (0.40) HRH3MTNR1AMTNR1BMAPTKMT2A
SCHEMBL10605812 0.85 KMT2A (0.47) HRH3MTNR1AMTNR1BMAPTKMT2A
SCHEMBL17863879 0.80 TAAR1 (0.43) HRH3MTNR1AMTNR1BMAPTEGFR
SCHEMBL38650580 0.78 MAPT (0.46) MAPTKMT2AMEN1TAAR1GAA
SCHEMBL1600066 0.78 ALDH1A1 (0.62) MAPTKMT2AMEN1GAAPKM
SCHEMBL9015909 0.78 MAPT (0.46) MAPTKMT2AMEN1TAAR1GAA
SCHEMBL17863878 0.77 CYP1A2 (0.41) MTNR1AMTNR1BMAPTTAAR1GAA
SCHEMBL6573422 0.77 HRH3 (0.42) HRH3MTNR1AMTNR1BMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067900-B2 Diaminophenothiazine compounds, a method for preparing same and uses thereof PHARMA HYDRO DEVELOPMENT—P.H.D. (FR) 2015-06-30 US disclosed
CN-101796041-B Diaminophenothiazine compounds, a method for preparing same and uses thereof PHARMA HYDRO DEV P H D 2013-05-22 CN disclosed
EP-2185531-B1 Diaminophenothiazine compounds, a method for preparing same and uses thereof PHARMA HYDRO DEV P H D (FR) 2012-07-25 EP disclosed
US-20100204215-A1 NOVEL DIAMINOPHENOTHIAZINE COMPOUNDS, A METHOD FOR PREPARING SAME AND USES THEREOF PHARMA HYDRO DEVELOPMENT - P.H.D. (FR) 2010-08-12 US disclosed
CN-101796041-A Novel diamino phenothiazine compounds, Its Preparation Method And Use MA HYDRO DEV P H D 2010-08-04 CN disclosed
EP-2185531-A2 NOVEL DIAMINOPHENOTHIAZINE COMPOUNDS, A METHOD FOR PREPARING SAME AND USES THEREOF Pharma Hydro Development - P.H.D. (FR) 2010-05-19 EP disclosed
WO-2009044054-A2 NOVEL DIAMINOPHENOTHIAZINE COMPOUNDS, A METHOD FOR PREPARING SAME AND USES THEREOF PHARMA HYDRO DEVELOPMENT - P.H.D. (FR) 2009-04-09 WO disclosed
EP-0600045-B1 HAIR DYE WELLA AG (DE) 1996-01-24 EP disclosed
US-5409502-A Acid resistance WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
US-4147716-A Preparation of N-substituted carbamates BASF WYANDOTTE CORPORATION (US) 1979-04-03 US disclosed
US-3997519-A Method of producing quaternary pyridinium compounds GAF CORPORATION (US) 1976-12-14 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-20100204215-A1 NOVEL DIAMINOPHENOTHIAZINE COMPOUNDS, A METHOD FOR PREPARING SAME AND USES THEREOF AOC1, DDT, DDC HRH3 2957/4885MTNR1A 3256/4885MTNR1B 2727/4885

“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.