SCHEMBL7970097

SCHEMBL7970097

S=C1Nc2ccccc2Sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
NOX1 Q9Y5S8 10/20 0.61
MAPT P10636 7/20 0.61
GAA P10253 6/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
SNCA P37840 3/20 0.61
BCHE P06276 2/20 0.61
ACHE P22303 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALOX15 P16050 2/20 0.61
ALOX12 P18054 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
MAOA P21397 1/20 0.61
CNR1 P21554 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61

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
SCHEMBL9007318 0.81 ALDH1A1 (0.68) ALDH1A1NOX1MAPTGAAMEN1
SCHEMBL9007315 0.79 NOX1 (0.66) ALDH1A1NOX1MAPTGAAMEN1
SCHEMBL9007310 0.78 ALDH1A1 (0.63) ALDH1A1NOX1MAPTGAAMEN1
SCHEMBL9007359 0.78 NOX1 (0.68) ALDH1A1NOX1MAPTGAAMEN1
SCHEMBL9007338 0.78 MAPT (0.68) ALDH1A1NOX1MAPTGAAMEN1
Phenothiazine SCHEMBL6315328 0.78 NOX1 (1.00) ALDH1A1NOX1MAPTGAAMEN1
Phenothiazine SCHEMBL2504207 0.78 NOX1 (1.00) ALDH1A1NOX1MAPTGAAMEN1
Phenothiazine SCHEMBL29349533 0.78 NOX1 (1.00) ALDH1A1NOX1MAPTGAAMEN1
Phenothiazine SCHEMBL9114 0.78 NOX1 (1.00) ALDH1A1NOX1MAPTGAAMEN1
Phenothiazine SCHEMBL29352248 0.78 NOX1 (1.00) ALDH1A1NOX1MAPTGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048876-B2 Process for preparing quetiapine and quetiapine fumarate MEDICHEM S.A. (ES) 2011-11-01 US disclosed
US-8048876-B2 Process for preparing quetiapine and quetiapine fumarate MEDICHEM S.A. (ES) 2011-11-01 US disclosed
US-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US disclosed
US-7902355-B2 Condensation of 10H-dibenzo-[b,f][1,4]-thiazepin-11-one with a piperazine derivative in the presence of a titanium alkoxide catalyst; Titanium catalyst easier to handle, have low toxicity, not chlorinated, much less harmful for the environment UNION QUIMICO-FARMACEUTICA S.A. (ES) 2011-03-08 US disclosed
EP-1856073-B1 A PROCESS FOR THE PREPARATION OF AN 11-(4-SUBSTITUTED-I-PIPERAZINYL)DIBENZO[b,f][1,4]THIAZEPINE DERIVATIVE UNION QUIMICO FARMA (ES) 2010-05-12 EP disclosed
US-20090076262-A1 PROCESS FOR PREPARING QUETIAPINE AND QUETIAPINE FUMARATE MEDICHEM, S.A. (ES) 2009-03-19 US disclosed
US-20090076262-A1 PROCESS FOR PREPARING QUETIAPINE AND QUETIAPINE FUMARATE MEDICHEM, S.A. (ES) 2009-03-19 US disclosed
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative UNION QUIMICO-FARMACEUTICA S.A. (ES) 2008-07-17 US disclosed
US-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative UNION QUIMICO-FARMACEUTICA S.A. (ES) 2008-07-17 US disclosed
US-6214820-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS NOVO NORDISK A/S (DK) 2001-04-10 US disclosed
US-5589474-A Dibenzothiazepinthione as antiviral agents GLAXO WELLCOME INC. (US) 1996-12-31 US disclosed
EP-0583317-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
WO-1992019607-A1 DIBENZOTHIAZEPINTHIONE AS ANTIVIRAL AGENTS THE WELLCOME FOUNDATION LIMITED (GB) 1992-11-12 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 (2 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-20080171869-A1 Process For The Preparation Of An 11-(4-Substituted-I- Piperazinyl)Dibenzo[B,F][1,4:rsqb; Thiazepine Derivative SDHB, SDHA, CYP2F1 ALDH1A1 513/4885NOX1 2105/4885MAPT 2862/4885
US-20090076262-A1 PROCESS FOR PREPARING QUETIAPINE AND QUETIAPINE FUMARATE CYP2F1, FH, FAH ALDH1A1 618/4885NOX1 2375/4885MAPT 535/4885

“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.