SCHEMBL3185489

SCHEMBL3185489

Brc1ccc2c(c1Br)Sc1ccccc1S2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
MAOA P21397 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
BCHE P06276 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
PTGS2 P35354 1/20 0.33
SNCA P37840 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL28015978 0.83 ALOX5 (0.30) ALOX5
SCHEMBL11592552 0.81 ALOX5 (0.36) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL11592553 0.79 ALOX5 (0.35) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL5771393 0.77 ALOX5 (0.43) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL30788160 0.77 ALOX5 (0.43) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL28015437 0.74 MAOA (0.35) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL11592198 0.72 ALOX5 (0.33) ALOX5MAOANOX1
SCHEMBL3266753 0.71 AHR (0.37)
SCHEMBL18034391 0.71 ALOX5 (0.54) ALOX5MAOAMEN1CYP1A2BCHE
SCHEMBL11592630 0.69 ALOX5 (0.34) ALOX5MAOAMEN1CYP1A2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105732574-B Preparation of thianthrene-5, 5,10, 10-tetraoxide derivative and organic electroluminescent device based on thianthrene-5, 5,10, 10-tetraoxide derivative 中国科学院理化技术研究所 2019-03-05 CN disclosed
CN-105189475-B Heterocyclic compounds and their use in electro-optical or opto-electronic devices 动力欧勒德斯有限公司 2018-12-21 CN disclosed
CN-105189475-A Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LTD 2015-12-23 CN disclosed
US-9190616-B2 Organometallic monomers and high refractive index polymers derived therefrom SILECS OY (FI) 2015-11-17 US disclosed
US-20140288260-A1 Organometallic Monomers and high Refractive index Polymers derived therefrom SILECS OY (FI) 2014-09-25 US disclosed
CN-104016971-A Antiviral compounds GILEAD SCIENCES INC 2014-09-03 CN disclosed
CN-103977406-A Antiviral compounds GILEAD SCIENCES INC 2014-08-13 CN disclosed
CN-102596936-B Antiviral compounds GILEAD SCIENCES INC 2014-06-11 CN disclosed
CN-103483312-A Triarylamine thianthrene organic electronic material and preparation method thereof TAICANG BIQI NEW MATERIAL RES & DEV CO LTD 2014-01-01 CN disclosed
WO-2012172177-A1 ORGANOMETALLIC MONOMERS AND HIGH REFRACTIVE INDEX POLYMERS DERIVED THEREFROM SILECS OY (FI) 2012-12-20 WO disclosed
US-7658868-B2 Class of molecular actuators where bulk actuation mechanisms such as ion intercalation are enhanced by controllable single molecule conformational rearrangements offers promise in exhibiting large active strains at moderate stresses MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-02-09 US disclosed
US-20070215839-A1 Molecular actuators, and methods of use thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-09-20 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-20070215839-A1 Molecular actuators, and methods of use thereof NOD2, PIEZO1, TPR ALOX5 3609/4885MAOA 3798/4885MEN1 4570/4885

“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.