SCHEMBL2582570

SCHEMBL2582570

Cc1cccc([N]c2cccc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTR3E A5X5Y0 2/20 0.42
HTR3B O95264 2/20 0.42
HTR3A P46098 2/20 0.42
HTR3D Q70Z44 2/20 0.42
HTR3C Q8WXA8 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAOA P21397 2/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2C P18825 1/20 0.42
DRD1 P21728 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL2576555 0.86 SIGMAR1 (0.40) SIGMAR1CYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL5145155 0.81 RAB9A (0.51) SIGMAR1CYP1A2ALDH1A1TDP1MAOA
SCHEMBL7751770 0.81 CYP1A2 (0.50) SIGMAR1CYP1A2ALDH1A1TDP1MAOA
SCHEMBL69928 0.81 CYP1A2 (0.50) SIGMAR1CYP1A2ALDH1A1TDP1MAOA
SCHEMBL6006369 0.78 ALDH1A1 (0.44) SIGMAR1CYP1A2ALDH1A1HTR3EHTR3B
SCHEMBL49212 0.76 ALDH1A1 (0.58) SIGMAR1CYP1A2ALDH1A1TDP1MAOA
SCHEMBL1056695 0.76 ACHE (0.58) SIGMAR1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL28219746 0.75 MEN1 (0.49) SIGMAR1CYP1A2ALDH1A1TDP1MAOA
SCHEMBL1903385 0.74 HTR3E (0.52) SIGMAR1ALDH1A1HTR3EHTR3BHTR3A
SCHEMBL6422598 0.74 CYP2A6 (0.54) CYP1A2HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048541-B2 Organic electroluminescence device CITY UNIVERSITY OF HONG KONG (HK) 2011-11-01 US disclosed
US-20100148662-A1 ORGANIC ELECTROLUMINESCENCE DEVICE CITY UNIVERSITY OF HONG KONG (HK) 2010-06-17 US disclosed
US-7429662-B2 Red-emitting electrophosphorescent devices CITY UNIVERSITY OF HONG KONG (CN) 2008-09-30 US disclosed
US-20060261730-A1 Red-emitting electrophosphorescent devices CITY UNIVERSITY OF HONG KONG (CN) 2006-11-23 US disclosed
US-6861162-B2 Doped thin films; multilayer; electrolytic cells; light emitting diodes CITYU RESEARCH LTD. (CN) 2005-03-01 US disclosed
US-6833202-B2 Luminescent layer uses as salicylaldiminato Schiff bases or their metal complexes based on diaminomaleonitrile and salicylaldehyde derivatives as red-emitting materials; color chromaticity CITY UNIVERSITY OF HONG KONG (CN) 2004-12-21 US disclosed
US-20040180234-A1 Electroluminescent devices HONG KONG, CITY UNIVERSITY OF (CN) 2004-09-16 US disclosed
US-20040043247-A1 Organic electroluminescence devices using pyrazolo [3,4B] quinoxaline derivatives INTELLECTUAL VENTURES HOLDING 57 LLC 2004-03-04 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 (3 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-20040180234-A1 Electroluminescent devices SLC25A13, AOC1, DDT SIGMAR1 4190/4885CYP1A2 2986/4885ALDH1A1 37/4885
US-20100148662-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IK, CACNA2D3, CACNA2D4 SIGMAR1 840/4885CYP1A2 2454/4885ALDH1A1 321/4885
US-20060261730-A1 Red-emitting electrophosphorescent devices IK, EED, SPR SIGMAR1 1889/4885CYP1A2 934/4885ALDH1A1 320/4885

“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.