SCHEMBL2576555

SCHEMBL2576555

Cc1cccc([N]c2cccc3cc4ccccc4cc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CYP2A6 P11509 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP1A2 P05177 5/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CASP3 P42574 2/20 0.36
RAB9A P51151 2/20 0.36
SENP8 Q96LD8 2/20 0.36
SENP7 Q9BQF6 2/20 0.36
SENP6 Q9GZR1 2/20 0.36
NPC1 O15118 1/20 0.36
NSD2 O96028 1/20 0.36
ACHE P22303 2/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL2582570 0.86 SIGMAR1 (0.49) SIGMAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL5145312 0.85 NPC1 (0.41) SIGMAR1CYP2A6TDP1CYP1A2MEN1
SCHEMBL348429 0.84 SIGMAR1 (0.41) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL2256805 0.80 SIGMAR1 (0.45) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL6542069 0.78 SIGMAR1 (0.44) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL6541314 0.78 SIGMAR1 (0.44) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL6542058 0.78 SIGMAR1 (0.44) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL6542100 0.78 SIGMAR1 (0.44) SIGMAR1TDP1CYP1A2MEN1KMT2A
SCHEMBL5143493 0.77 ALDH1A1 (0.46) SIGMAR1CYP2A6TDP1CYP1A2MEN1
SCHEMBL6422598 0.75 CYP2A6 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C

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 10 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-7232617-B2 Electroluminescent devices CITYU RESEARCH LIMITED (CN) 2007-06-19 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-20040151943-A1 Electroluminescent devices INTELLECTUAL VENTURES II LLC 2004-08-05 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 (4 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 4190/4885HTR3E 3853/4885HTR3B 3531/4885
US-20100148662-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IK, CACNA2D3, CACNA2D4 SIGMAR1 840/4885HTR3E 4352/4885HTR3B 4455/4885
US-20040151943-A1 Electroluminescent devices SLCO2B1, SLCO2A1, HAX1 SIGMAR1 22/4885HTR3E 568/4885HTR3B 848/4885
US-20060261730-A1 Red-emitting electrophosphorescent devices IK, EED, SPR SIGMAR1 1889/4885HTR3E 3830/4885HTR3B 3777/4885

“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.